ChemSpider 2D Image | BMS-641988 | C20H20F3N3O5S

BMS-641988

  • Molecular FormulaC20H20F3N3O5S
  • Average mass471.450 Da
  • Monoisotopic mass471.107574 Da
  • ChemSpider ID32701355

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

573738-99-5 [RN]
BMS-641988
Ethanesulfonamide, N-[(3aR,4R,5R,7R,7aS)-2-[4-cyano-3-(trifluoromethyl)phenyl]octahydro-4,7-dimethyl-1,3-dioxo-4,7-epoxy-1H-isoindol-5-yl]- [ACD/Index Name]
N-{(1R,2S,6R,7R,8R)-4-[4-Cyan-3-(trifluormethyl)phenyl]-1,7-dimethyl-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.02,6]dec-8-yl}ethansulfonamid [German] [ACD/IUPAC Name]
N-{(1R,2S,6R,7R,8R)-4-[4-Cyano-3-(trifluoromethyl)phenyl]-1,7-dimethyl-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.02,6]dec-8-yl}ethanesulfonamide [ACD/IUPAC Name]
N-{(1R,2S,6R,7R,8R)-4-[4-Cyano-3-(trifluorométhyl)phényl]-1,7-diméthyl-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.02,6]déc-8-yl}éthanesulfonamide [French] [ACD/IUPAC Name]
rel-N-[(3aR,4R,5R,7R,7aS)-2-[4-Cyano-3-(trifluoromethyl)phenyl]octahydro-4,7-dimethyl-1,3-dioxo-4,7-epoxy-1H-isoindol-5-yl]ethanesulfonamide
1093276-09-5 [RN]
BMS 641988
MFCD20233425
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 678.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.4±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 104.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.74
ACD/KOC (pH 5.5): 404.14
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.68
ACD/KOC (pH 7.4): 403.27
Polar Surface Area: 125 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 306.4±5.0 cm3

Click to predict properties on the Chemicalize site


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