ChemSpider 2D Image | 5-[(tert-butylcarbamoyl)amino]-2-[(2-methoxy-5-nitrobenzyl)sulfanyl]-N-methyl-1-propyl-1H-benzimidazole-7-carboxamide | C25H32N6O5S

5-[(tert-butylcarbamoyl)amino]-2-[(2-methoxy-5-nitrobenzyl)sulfanyl]-N-methyl-1-propyl-1H-benzimidazole-7-carboxamide

  • Molecular FormulaC25H32N6O5S
  • Average mass528.624 Da
  • Monoisotopic mass528.215515 Da
  • ChemSpider ID23260895

More details:

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

1H-Benzimidazole-7-carboxamide, 5-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-2-[[(2-methoxy-5-nitrophenyl)methyl]thio]-N-methyl-1-propyl- [ACD/Index Name]
2-[(2-Methoxy-5-nitrobenzyl)sulfanyl]-N-methyl-5-{[(2-methyl-2-propanyl)carbamoyl]amino}-1-propyl-1H-benzimidazol-7-carboxamid [German] [ACD/IUPAC Name]
2-[(2-Methoxy-5-nitrobenzyl)sulfanyl]-N-methyl-5-{[(2-methyl-2-propanyl)carbamoyl]amino}-1-propyl-1H-benzimidazole-7-carboxamide [ACD/IUPAC Name]
2-[(2-Méthoxy-5-nitrobenzyl)sulfanyl]-N-méthyl-5-{[(2-méthyl-2-propanyl)carbamoyl]amino}-1-propyl-1H-benzimidazole-7-carboxamide [French] [ACD/IUPAC Name]
5-[(tert-butylcarbamoyl)amino]-2-[(2-methoxy-5-nitrobenzyl)sulfanyl]-N-methyl-1-propyl-1H-benzimidazole-7-carboxamide
6-(3-tert-Butyl-ureido)-2-(2-methoxy-5-nitro-benzylsulfanyl)-3-propyl-3H-benzoimidazole-4-carboxylic acid methylamide
CHEMBL440212
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL440212/

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 142.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1067.85
ACD/KOC (pH 5.5): 5112.90
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1074.10
ACD/KOC (pH 7.4): 5142.87
Polar Surface Area: 168 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 399.6±7.0 cm3

Click to predict properties on the Chemicalize site


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