ChemSpider 2D Image | 4-{[(3-Carbamimidoylphenyl)amino]methyl}-3-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}benzoic acid | C28H32N6O3

4-{[(3-Carbamimidoylphenyl)amino]methyl}-3-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}benzoic acid

  • Molecular FormulaC28H32N6O3
  • Average mass500.592 Da
  • Monoisotopic mass500.253601 Da
  • ChemSpider ID9572815

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-{[(3-Carbamimidoylphenyl)amino]methyl}-3-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}benzoesäure [German] [ACD/IUPAC Name]
4-{[(3-Carbamimidoylphenyl)amino]methyl}-3-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 4-{[(3-carbamimidoylphényl)amino]méthyl}-3-{[4-(4-méthyl-1,4-diazépan-1-yl)benzoyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[3-(aminoiminomethyl)phenyl]amino]methyl]-3-[[4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzoyl]amino]- [ACD/Index Name]
4-(((3-carbamimidoylphenyl)amino)methyl)-3-(4-(4-methyl-1,4-diazepan-1-yl)benzamido)benzoic acid
4-[[[3-(AMINOIMINOMETHYL)PHENYL]AMINO]METHYL]-3-[[4-(HEXAHYDRO-4-METHYL-1H-1,4-DIAZEPIN-1-YL)BENZOYL]AMINO]BENZOIC ACID
781605-91-2 [RN]
Benzoic acid,4-[[[3-(aminoiminomethyl)phenyl]amino]methyl]-3-[[4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzoyl]amino]-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 141.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.23
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 384.2±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement