ChemSpider 2D Image | 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide | C27H23N7O

4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide

  • Molecular FormulaC27H23N7O
  • Average mass461.518 Da
  • Monoisotopic mass461.196411 Da
  • ChemSpider ID29398647

More details:






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

4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamid [German] [ACD/IUPAC Name]
4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide [ACD/IUPAC Name]
4-Méthyl-N-[3-(4-méthyl-1H-imidazol-1-yl)phényl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- [ACD/Index Name]
10.1016/j.bmcl.2012.11.111

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 137.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 87.89
ACD/KOC (pH 5.5): 598.51
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 301.33
ACD/KOC (pH 7.4): 2052.08
Polar Surface Area: 98 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 358.8±7.0 cm3

Click to predict properties on the Chemicalize site






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