ChemSpider 2D Image | 5-[(tert-butylcarbamoyl)amino]-N-[3-(dimethylamino)propyl]-2-[(2-methoxy-5-nitrobenzyl)sulfanyl]-1-propyl-1H-benzimidazole-7-carboxamide | C29H41N7O5S

5-[(tert-butylcarbamoyl)amino]-N-[3-(dimethylamino)propyl]-2-[(2-methoxy-5-nitrobenzyl)sulfanyl]-1-propyl-1H-benzimidazole-7-carboxamide

  • Molecular FormulaC29H41N7O5S
  • Average mass599.745 Da
  • Monoisotopic mass599.289001 Da
  • ChemSpider ID23260705

More details:

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

1H-Benzimidazole-7-carboxamide, N-[3-(dimethylamino)propyl]-5-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-2-[[(2-methoxy-5-nitrophenyl)methyl]thio]-1-propyl- [ACD/Index Name]
5-[(tert-butylcarbamoyl)amino]-N-[3-(dimethylamino)propyl]-2-[(2-methoxy-5-nitrobenzyl)sulfanyl]-1-propyl-1H-benzimidazole-7-carboxamide
N-[3-(Dimethylamino)propyl]-2-[(2-methoxy-5-nitrobenzyl)sulfanyl]-5-{[(2-methyl-2-propanyl)carbamoyl]amino}-1-propyl-1H-benzimidazol-7-carboxamid [German] [ACD/IUPAC Name]
N-[3-(Dimethylamino)propyl]-2-[(2-methoxy-5-nitrobenzyl)sulfanyl]-5-{[(2-methyl-2-propanyl)carbamoyl]amino}-1-propyl-1H-benzimidazole-7-carboxamide [ACD/IUPAC Name]
N-[3-(Diméthylamino)propyl]-2-[(2-méthoxy-5-nitrobenzyl)sulfanyl]-5-{[(2-méthyl-2-propanyl)carbamoyl]amino}-1-propyl-1H-benzimidazole-7-carboxamide [French] [ACD/IUPAC Name]
6-(3-tert-Butyl-ureido)-2-(2-methoxy-5-nitro-benzylsulfanyl)-3-propyl-3H-benzoimidazole-4-carboxylic acid (3-dimethylamino-propyl)-amide
CHEMBL196439

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: 1.611
Molar Refractivity: 164.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 6.38
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 27.08
ACD/KOC (pH 7.4): 120.32
Polar Surface Area: 172 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 473.6±7.0 cm3

Click to predict properties on the Chemicalize site


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