ChemSpider 2D Image | 4-{2-[(2-Chlorophenyl)amino]-5-methyl-4-pyrimidinyl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide | C24H22ClN5O2

4-{2-[(2-Chlorophenyl)amino]-5-methyl-4-pyrimidinyl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide

  • Molecular FormulaC24H22ClN5O2
  • Average mass447.917 Da
  • Monoisotopic mass447.146210 Da
  • ChemSpider ID24635109
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Pyrrole-2-carboxamide, 4-[2-[(2-chlorophenyl)amino]-5-methyl-4-pyrimidinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]- [ACD/Index Name]
4-{2-[(2-Chlorophenyl)amino]-5-methyl-4-pyrimidinyl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-{2-[(2-Chlorophényl)amino]-5-méthyl-4-pyrimidinyl}-N-[(1S)-2-hydroxy-1-phényléthyl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
4-{2-[(2-Chlorophenyl)amino]-5-Methylpyrimidin-4-Yl}-N-[(1s)-2-Hydroxy-1-Phenylethyl]-1h-Pyrrole-2-Carboxamide
4-{2-[(2-Chlorphenyl)amino]-5-methyl-4-pyrimidinyl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
E86
pyrimidylpyrrole, 9a

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 124.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 681.10
ACD/KOC (pH 5.5): 3705.77
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 685.14
ACD/KOC (pH 7.4): 3727.71
Polar Surface Area: 103 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 329.6±3.0 cm3

Click to predict properties on the Chemicalize site






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