ChemSpider 2D Image | Ethyl 4-[2-(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-oxo-1,2-dihydro-3-pyridinyl)-4-methyl-1H-benzimidazol-6-yl]-1-piperazinecarboxylate | C28H31ClN6O4

Ethyl 4-[2-(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-oxo-1,2-dihydro-3-pyridinyl)-4-methyl-1H-benzimidazol-6-yl]-1-piperazinecarboxylate

  • Molecular FormulaC28H31ClN6O4
  • Average mass551.036 Da
  • Monoisotopic mass550.209534 Da
  • ChemSpider ID24678417

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1,2-dihydro-2-oxo-3-pyridinyl]-4-methyl-1H-benzimidazol-6-yl]-, ethyl ester [ACD/Index Name]
4-[2-(4-{[(2S)-2-(3-Chlorophényl)-2-hydroxyéthyl]amino}-2-oxo-1,2-dihydro-3-pyridinyl)-4-méthyl-1H-benzimidazol-6-yl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[2-(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-oxo-1,2-dihydro-3-pyridinyl)-4-methyl-1H-benzimidazol-6-yl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[2-(4-{[(2S)-2-(3-chlorphenyl)-2-hydroxyethyl]amino}-2-oxo-1,2-dihydro-3-pyridinyl)-4-methyl-1H-benzimidazol-6-yl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
(S)-ethyl 4-(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-1H-benzo[d]imidazol-6-yl)piperazine-1-carboxylate

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: 1.703
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 4.05
ACD/KOC (pH 5.5): 48.86
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 32.14
ACD/KOC (pH 7.4): 387.22
Polar Surface Area: 123 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 383.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement