ChemSpider 2D Image | CP-288886 | C30H28ClF3N2O6S

CP-288886

  • Molecular FormulaC30H28ClF3N2O6S
  • Average mass637.066 Da
  • Monoisotopic mass636.130859 Da
  • ChemSpider ID8006514

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

221332-74-7 [RN]
A6P0F906YX
CP-288886
Methanesulfonamide, N-[3-[[(3S,4R)-6-[(7-chloro-2-quinolinyl)methoxy]-3,4-dihydro-4-hydroxy-2,2-dimethyl-2H-1-benzopyran-3-yl]methyl]-4-methoxyphenyl]-1,1,1-trifluoro- [ACD/Index Name]
N-[3-({(3S,4R)-6-[(7-Chlor-2-chinolinyl)methoxy]-4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-3-yl}methyl)-4-methoxyphenyl]-1,1,1-trifluormethansulfonamid [German] [ACD/IUPAC Name]
N-[3-({(3S,4R)-6-[(7-Chloro-2-quinoléinyl)méthoxy]-4-hydroxy-2,2-diméthyl-3,4-dihydro-2H-chromén-3-yl}méthyl)-4-méthoxyphényl]-1,1,1-trifluorométhanesulfonamide [French] [ACD/IUPAC Name]
N-[3-({(3S,4R)-6-[(7-Chloro-2-quinolinyl)methoxy]-4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-3-yl}methyl)-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide [ACD/IUPAC Name]
N-[3-({(3S,4R)-6-[(7-chloroquinolin-2-yl)methoxy]-4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-3-yl}methyl)-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide
CHEMBL119214
N-[3-[[(3S,4R)-6-[(7-chloro-2-quinolyl)methoxy]-4-hydroxy-2,2-dimethyl-3-chromanyl]methyl]-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 688.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.4±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 22080.48
ACD/KOC (pH 5.5): 30457.19
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 1211.79
ACD/KOC (pH 7.4): 1671.51
Polar Surface Area: 115 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 445.9±3.0 cm3

Click to predict properties on the Chemicalize site


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