ChemSpider 2D Image | Cyclopropyl[(3R)-3-({4-[6-hydroxy-2-(2-naphthyl)-1H-benzimidazol-1-yl]-2-pyrimidinyl}amino)-1-piperidinyl]methanone | C30H28N6O2

Cyclopropyl[(3R)-3-({4-[6-hydroxy-2-(2-naphthyl)-1H-benzimidazol-1-yl]-2-pyrimidinyl}amino)-1-piperidinyl]methanone

  • Molecular FormulaC30H28N6O2
  • Average mass504.582 Da
  • Monoisotopic mass504.227386 Da
  • ChemSpider ID29415275
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Cyclopropyl[(3R)-3-({4-[6-hydroxy-2-(2-naphthyl)-1H-benzimidazol-1-yl]-2-pyrimidinyl}amino)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
Cyclopropyl[(3R)-3-({4-[6-hydroxy-2-(2-naphthyl)-1H-benzimidazol-1-yl]-2-pyrimidinyl}amino)-1-piperidinyl]methanone [ACD/IUPAC Name]
Cyclopropyl[(3R)-3-({4-[6-hydroxy-2-(2-naphtyl)-1H-benzimidazol-1-yl]-2-pyrimidinyl}amino)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Cyclopropyl[(3r)-3-({4-[6-Hydroxy-2-(Naphthalen-2-Yl)-1h-Benzimidazol-1-Yl]pyrimidin-2-Yl}amino)piperidin-1-Yl]methanone
Methanone, cyclopropyl[(3R)-3-[[4-[6-hydroxy-2-(2-naphthalenyl)-1H-benzimidazol-1-yl]-2-pyrimidinyl]amino]-1-piperidinyl]- [ACD/Index Name]
10.1016/j.bmc.2013.02.021
1RQ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 835.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 459.3±37.1 °C
Index of Refraction: 1.765
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1632.65
ACD/KOC (pH 5.5): 6933.37
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1402.48
ACD/KOC (pH 7.4): 5955.93
Polar Surface Area: 96 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 350.2±7.0 cm3

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