ChemSpider 2D Image | 2-[(2-{(1S,2S)-2-[(3,4-Dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethyl-4-pyrimidinyl)sulfanyl]-1H-imidazole-5-carboxylic acid | C24H25Cl2N5O3S

2-[(2-{(1S,2S)-2-[(3,4-Dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethyl-4-pyrimidinyl)sulfanyl]-1H-imidazole-5-carboxylic acid

  • Molecular FormulaC24H25Cl2N5O3S
  • Average mass534.458 Da
  • Monoisotopic mass533.105530 Da
  • ChemSpider ID35034960
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1H-Imidazole-5-carboxylic acid, 2-[[2-[(1S,2S)-2-[[[(3,4-dichlorophenyl)methyl]amino]carbonyl]cyclohexyl]-6-ethyl-4-pyrimidinyl]thio]- [ACD/Index Name]
2-[(2-{(1S,2S)-2-[(3,4-Dichlorbenzyl)carbamoyl]cyclohexyl}-6-ethyl-4-pyrimidinyl)sulfanyl]-1H-imidazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-[(2-{(1S,2S)-2-[(3,4-Dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethyl-4-pyrimidinyl)sulfanyl]-1H-imidazole-5-carboxylic acid [ACD/IUPAC Name]
2-[(2-{(1s,2s)-2-[(3,4-Dichlorobenzyl)carbamoyl]cyclohexyl}-6-Ethylpyrimidin-4-Yl)sulfanyl]-1h-Imidazole-5-Carboxylic Acid
Acide 2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-éthyl-4-pyrimidinyl)sulfanyl]-1H-imidazole-5-carboxylique [French] [ACD/IUPAC Name]
2VJ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 58.99
ACD/KOC (pH 5.5): 197.06
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 3.45
ACD/KOC (pH 7.4): 11.52
Polar Surface Area: 146 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 80.2±5.0 dyne/cm
Molar Volume: 362.1±5.0 cm3

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