ChemSpider 2D Image | 2-{2-[(2-Amino-1H-benzimidazol-5-yl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoic acid | C28H30N6O6

2-{2-[(2-Amino-1H-benzimidazol-5-yl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoic acid

  • Molecular FormulaC28H30N6O6
  • Average mass546.574 Da
  • Monoisotopic mass546.222656 Da
  • ChemSpider ID30824997
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-{2-[(2-Amino-1H-benzimidazol-5-yl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoesäure [German] [ACD/IUPAC Name]
2-{2-[(2-Amino-1H-benzimidazol-5-yl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoic acid [ACD/IUPAC Name]
Acide 2-{2-[(2-amino-1H-benzimidazol-5-yl)carbamoyl]-6-méthoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-diméthyl-2-butanyl]carbamoyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[2-[[(2-amino-1H-benzimidazol-6-yl)amino]carbonyl]-6-methoxy-3-pyridinyl]-5-[[[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]amino]carbonyl]- [ACD/Index 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: 1.691
Molar Refractivity: 150.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 70.9±3.0 dyne/cm
Molar Volume: 392.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement