3,5-bis({[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl}amino)benzoic acid 5300-58-3 CAS NO.5300-58-3

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Product Details

Keywords

3,5-bis[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid
3,5-bis({[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl}amino)benzoic acid
5300-58-3

Quick Details

ProName: 3,5-bis({[3-(4,5-dihydro-1H-imidazol-2...
CasNo: 5300-58-3
Molecular Formula: C27H26N8O4
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: as client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 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)benzoic acid
【CAS Registry number】
5300-58-3
【Molecular Formula】
C27H26N8O4 (Products with the same molecular formula)
【Molecular Weight】
526.5465
【Inchi】
InChI=1/C27H26N8O4/c36-25(37)18-13-21(34-26(38)32-19-5-1-3-16(11-19)23-28-7-8-29-23)15-22(14-18)35-27(39)33-20-6-2-4-17(12-20)24-30-9-10-31-24/h1-6,11-15H,7-10H2,(H,28,29)(H,30,31)(H,36,37)(H2,32,34,38)(H2,33,35,39)
【Canonical SMILES】
C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)NC4=CC=CC(=C4)C5=NCCN5.[Cl-]
【Isomers smiles】
C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)NC4=CC=CC(=C4)
C5=NCCN5.[Cl-]
【MOL File】
5300-58-3.mol
Chemical and Physical Properties
【Density】
1.5g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.744
【Flash Point】
°C
【Computed Properties】
Molecular Weight:561.99954 [g/mol]
Molecular Formula:C27H26ClN8O4-
H-Bond Donor:7
H-Bond Acceptor:7
Rotatable Bond Count:7
Tautomer Count:6
Exact Mass:561.176554
MonoIsotopic Mass:561.176554
Topological Polar Surface Area:168
Heavy Atom Count:40
Formal Charge:-1
Complexity:903
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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