ChemSpider 2D Image | {[(7-Carbamimidoyl-2-naphthyl)methyl](4-{4-[(1E)-ethanimidoyl]-1,4-diazepan-1-yl}phenyl)sulfamoyl}acetic acid | C27H32N6O4S

{[(7-Carbamimidoyl-2-naphthyl)methyl](4-{4-[(1E)-ethanimidoyl]-1,4-diazepan-1-yl}phenyl)sulfamoyl}acetic acid

  • Molecular FormulaC27H32N6O4S
  • Average mass536.646 Da
  • Monoisotopic mass536.220581 Da
  • ChemSpider ID8049352
  • Double-bond stereo - Double-bond stereo


More details:






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

{[(7-Carbamimidoyl-2-naphthyl)methyl](4-{4-[(1E)-ethanimidoyl]-1,4-diazepan-1-yl}phenyl)sulfamoyl}acetic acid [ACD/IUPAC Name]
{[(7-Carbamimidoyl-2-naphthyl)methyl](4-{4-[(1E)-ethanimidoyl]-1,4-diazepan-1-yl}phenyl)sulfamoyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[[[7-[(Z)-aminoiminomethyl]-2-naphthalenyl]methyl][4-[hexahydro-4-[(1E)-1-iminoethyl]-1H-1,4-diazepin-1-yl]phenyl]amino]sulfonyl]- [ACD/Index Name]
Acide {[(7-carbamimidoyl-2-naphtyl)méthyl](4-{4-[(1E)-ethanimidoyl]-1,4-diazépan-1-yl}phényl)sulfamoyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 793.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 433.6±35.7 °C
Index of Refraction: 1.672
Molar Refractivity: 145.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 389.2±7.0 cm3

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