ChemSpider 2D Image | 4-{[3-(5-Carbamoyl-2-{[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]amino}-7-methoxy-1H-benzimidazol-1-yl)propyl]amino}-4-oxobutanoic acid | C23H29N7O6

4-{[3-(5-Carbamoyl-2-{[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]amino}-7-methoxy-1H-benzimidazol-1-yl)propyl]amino}-4-oxobutanoic acid

  • Molecular FormulaC23H29N7O6
  • Average mass499.520 Da
  • Monoisotopic mass499.217926 Da
  • ChemSpider ID128719512

More details:

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

4-{[3-(5-Carbamoyl-2-{[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]amino}-7-methoxy-1H-benzimidazol-1-yl)propyl]amino}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[3-(5-Carbamoyl-2-{[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]amino}-7-methoxy-1H-benzimidazol-1-yl)propyl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[3-(5-carbamoyl-2-{[(1-éthyl-3-méthyl-1H-pyrazol-5-yl)carbonyl]amino}-7-méthoxy-1H-benzimidazol-1-yl)propyl]amino}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[3-[5-(aminocarbonyl)-2-[[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]amino]-7-methoxy-1H-benzimidazol-1-yl]propyl]amino]-4-oxo- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4516920/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 128.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.07
ACD/LogD (pH 7.4): -3.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 344.3±7.0 cm3

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