ChemSpider 2D Image | N-[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-3-phenylpropanamide | C27H25Cl2N5O

N-[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-3-phenylpropanamide

  • Molecular FormulaC27H25Cl2N5O
  • Average mass506.426 Da
  • Monoisotopic mass505.143616 Da
  • ChemSpider ID30828962

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenepropanamide, N-[(1R)-2-[[5-chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino]-1-phenylethyl]- [ACD/Index Name]
N-[(1R)-2-{[5-Chlor-2-(5-chlor-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-3-phenylpropanamid [German] [ACD/IUPAC Name]
N-[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]-3-phenylpropanamide [ACD/IUPAC Name]
N-[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-méthyl-4-pyrimidinyl]amino}-1-phényléthyl]-3-phénylpropanamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 677.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.6±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 140.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4465.51
ACD/KOC (pH 5.5): 14258.76
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4468.69
ACD/KOC (pH 7.4): 14268.93
Polar Surface Area: 80 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 388.1±3.0 cm3

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