ChemSpider 2D Image | 2-Oxo-2-{[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino}ethyl 3-(1-phenyl-1H-benzimidazol-2-yl)propanoate | C30H31N5O5S

2-Oxo-2-{[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino}ethyl 3-(1-phenyl-1H-benzimidazol-2-yl)propanoate

  • Molecular FormulaC30H31N5O5S
  • Average mass573.663 Da
  • Monoisotopic mass573.204590 Da
  • ChemSpider ID2579000

More details:

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

1H-Benzimidazole-2-propanoic acid, 1-phenyl-, 2-oxo-2-[[3-[[(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]sulfonyl]phenyl]amino]ethyl ester [ACD/Index Name]
2-Oxo-2-{[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino}ethyl 3-(1-phenyl-1H-benzimidazol-2-yl)propanoate [ACD/IUPAC Name]
2-Oxo-2-{[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino}ethyl-3-(1-phenyl-1H-benzimidazol-2-yl)propanoat [German] [ACD/IUPAC Name]
3-(1-Phényl-1H-benzimidazol-2-yl)propanoate de 2-oxo-2-{[3-(3,4,5,6-tétrahydro-2H-azépin-7-ylsulfamoyl)phényl]amino}éthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 157.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 31.21
ACD/KOC (pH 5.5): 168.91
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 117.90
ACD/KOC (pH 7.4): 638.07
Polar Surface Area: 140 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 423.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement