ChemSpider 2D Image | CP-609754 | C29H22ClN3O2

CP-609754

  • Molecular FormulaC29H22ClN3O2
  • Average mass479.957 Da
  • Monoisotopic mass479.140045 Da
  • ChemSpider ID32700126
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2(1H)-Quinolinone, 6-[(R)-(4-chlorophenyl)hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-ethynylphenyl)-1-methyl- [ACD/Index Name]
6-[(R)-(4-Chlorophényl)(hydroxy)(1-méthyl-1H-imidazol-5-yl)méthyl]-4-(3-éthynylphényl)-1-méthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-[(R)-(4-Chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-2(1H)-quinolinone [ACD/IUPAC Name]
6-[(R)-(4-Chlorphenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-ethinylphenyl)-1-methyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
CP-609754
(R)-6-((4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-ethynylphenyl)-1-methylquinolin-2(1H)-one
1190094-64-4 [RN]
UNII:L0S47W9GPY
UNII-L0S47W9GPY

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

Density: 1.2±0.1 g/cm3
Boiling Point: 702.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.6±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 140.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 55.56
ACD/KOC (pH 5.5): 325.16
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 477.45
ACD/KOC (pH 7.4): 2794.09
Polar Surface Area: 58 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 389.3±7.0 cm3

Click to predict properties on the Chemicalize site






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