ChemSpider 2D Image | CP-866087 | C24H30N2O3S

CP-866087

  • Molecular FormulaC24H30N2O3S
  • Average mass426.572 Da
  • Monoisotopic mass426.197723 Da
  • ChemSpider ID32700406

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

519052-02-9 [RN]
CP-866087
Methanesulfonamide, N-[3-[(1R,5S)-3-[(2,3-dihydro-2-hydroxy-1H-inden-2-yl)methyl]-6-ethyl-3-azabicyclo[3.1.0]hex-6-yl]phenyl]- [ACD/Index Name]
N-(3-{(1R,5S,6r)-6-Ethyl-3-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]-3-azabicyclo[3.1.0]hex-6-yl}phenyl)methanesulfonamide [ACD/IUPAC Name]
N-(3-{(1R,5S,6r)-6-Éthyl-3-[(2-hydroxy-2,3-dihydro-1H-indén-2-yl)méthyl]-3-azabicyclo[3.1.0]hex-6-yl}phényl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-(3-{(1R,5S,6r)-6-Ethyl-3-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]-3-azabicyclo[3.1.0]hex-6-yl}phenyl)methansulfonamid [German] [ACD/IUPAC Name]
Methanesulfonamide, N-(3-(3-((2,3-dihydro-2-hydroxy-1H-inden-2-yl)methyl)-6-ethyl-3-azabicyclo(3.1.0)hex-6-yl)phenyl)-
N-[3-[(1R,5S)-6-ethyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide

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

MDH21334PI [DBID]
UNII:MDH21334PI [DBID]
UNII-MDH21334PI [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 584.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 307.2±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.16
Polar Surface Area: 78 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 326.8±3.0 cm3

Click to predict properties on the Chemicalize site


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