benzyl [12-methyl-2,5,11,14-tetraoxo-3-(propan-2-yl)-1-oxa-4,10,13-triazacyclohexadecan-15-yl]carbamate(CAS No. 56411-59-7) CAS NO.56411-59-7

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Product Details

Keywords

benzyl N-(12-methyl-2,5,11,14-tetraoxo-3-propan-2-yl-1-oxa-4,10,13-triazacyclohexadec-15-yl)carbamat
56411-59-7
98%

Quick Details

ProName: benzyl [12-methyl-2,5,11,14-tetraoxo-3...
CasNo: 56411-59-7
Molecular Formula: C24H34N4O7
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【Name】
benzyl [12-methyl-2,5,11,14-tetraoxo-3-(propan-2-yl)-1-oxa-4,10,13-triazacyclohexadecan-15-yl]carbamate
【Iupac name】
benzyl
N-(12-methyl-2,5,11,14-tetraoxo-3-propan-2-yl-1-oxa-4,10,
13-triazacyclohexadec-15-yl)carbamate
【CAS Registry number】
56411-59-7
【Synonyms】
NSC262141
AC1L7ZUF
NSC-262141
56411-59-7
benzyl N-(12-methyl-2,5,11,14-tetraoxo-3-propan-2-yl-1-oxa-4,10,13-triazacyclohexadec-15-yl)carbamate
【Molecular Formula】
C24H34N4O7 (Products with the same molecular formula)
【Molecular Weight】
490.5494
【Inchi】
InChI=1/C24H34N4O7/c1-15(2)20-23(32)34-14-18(27-24(33)35-13-17-9-5-4-6-10-17)22(31)26-16(3)21(30)25-12-8-7-11-19(29)28-20/h4-6,9-10,15-16,18,20H,7-8,11-14H2,1-3H3,(H,25,30)(H,26,31)(H,27,33)(H,28,29)
【Canonical SMILES】
CC1C(=O)NCCCCC(=O)NC(C(=O)OCC(C(=O)N1)NC(=O)OCC2=CC=CC=C2)C(C)C
Chemical and Physical Properties
【Density】
1.24g/cm3
【Boiling Point】
867.9°C at 760 mmHg
【Refractive Index】
1.555
【Flash Point】
478.7°C
【Computed Properties】
Molecular Weight:490.54936 [g/mol]
Molecular Formula:C24H34N4O7
XLogP3-AA:1.6
H-Bond Donor:4
H-Bond Acceptor:7
Rotatable Bond Count:5
Tautomer Count:108
Exact Mass:490.242749
MonoIsotopic Mass:490.242749
Topological Polar Surface Area:152
Heavy Atom Count:35
Formal Charge:0
Complexity:752
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:4
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:8.4
Conformer Sampling RMSD:1.4
CID Conformer Count:341

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