3,5-bis({[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl}amino)-N-phenylbenzamide 5300-59-4 CAS NO.5300-59-4

Min.Order: 1 Gram
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Product Details

Keywords

3,5-bis[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N-phenyl-benzamide
5300-59-4
98%

Quick Details

ProName: 3,5-bis({[3-(4,5-dihydro-1H-imidazol-2...
CasNo: 5300-59-4
Molecular Formula: C33H31N9O3
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: as client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 10 Kilogram/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
3,5-bis({[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl}amino)-N-phenylbenzamide
【CAS Registry number】
5300-59-4
【Molecular Formula】
C33H31N9O3 (Products with the same molecular formula)
【Molecular Weight】
601.6577
【Inchi】
InChI=1/C33H31N9O3/c43-31(38-24-8-2-1-3-9-24)23-18-27(41-32(44)39-25-10-4-6-21(16-25)29-34-12-13-35-29)20-28(19-23)42-33(45)40-26-11-5-7-22(17-26)30-36-14-15-37-30/h1-11,16-20H,12-15H2,(H,34,35)(H,36,37)(H,38,43)(H2,39,41,44)(H2,40,42,45)
【Canonical SMILES】
C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=CC=CC=C4)NC(=O)NC5=CC=CC(=C5)C6=NCCN6.[Cl-]
【Isomers smiles】
C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=CC=CC=C4)NC(=O)NC5=
CC=CC(=C5)C6=NCCN6.[Cl-]
【MOL File】
5300-59-4.mol
Chemical and Physical Properties
【Density】
1.41g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.726
【Flash Point】
°C
【Computed Properties】
Molecular Weight:637.11074 [g/mol]
Molecular Formula:C33H31ClN9O3-
H-Bond Donor:7
H-Bond Acceptor:6
Rotatable Bond Count:8
Tautomer Count:12
Exact Mass:636.223839
MonoIsotopic Mass:636.223839
Topological Polar Surface Area:160
Heavy Atom Count:46
Formal Charge:-1
Complexity:1040
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

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