ChemSpider 2D Image | 8-Cyclohexyl-1a-{[(2R,6S)-2,6-dimethyl-4-morpholinyl]carbonyl}-N-(dimethylsulfamoyl)-11-methoxy-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide | C35H44N4O6S

8-Cyclohexyl-1a-{[(2R,6S)-2,6-dimethyl-4-morpholinyl]carbonyl}-N-(dimethylsulfamoyl)-11-methoxy-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide

  • Molecular FormulaC35H44N4O6S
  • Average mass648.812 Da
  • Monoisotopic mass648.298157 Da
  • ChemSpider ID17274475

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

8-Cyclohexyl-1a-{[(2R,6S)-2,6-dimethyl-4-morpholinyl]carbonyl}-N-(dimethylsulfamoyl)-11-methoxy-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepin-5-carboxamid [German] [ACD/IUPAC Name]
8-Cyclohexyl-1a-{[(2R,6S)-2,6-dimethyl-4-morpholinyl]carbonyl}-N-(dimethylsulfamoyl)-11-methoxy-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide [ACD/IUPAC Name]
8-Cyclohexyl-1a-{[(2R,6S)-2,6-diméthyl-4-morpholinyl]carbonyl}-N-(diméthylsulfamoyl)-11-méthoxy-1,1a,2,12b-tétrahydrocyclopropa[d]indolo[2,1-a][2]benzazépine-5-carboxamide [French] [ACD/IUPAC Name]
Cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 8-cyclohexyl-N-[(dimethylamino)sulfonyl]-1a-[[(2R,6S)-2,6-dimethyl-4-morpholinyl]carbonyl]-1,1a,2,12b-tetrahydro-11-methoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 174.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 310.42
ACD/KOC (pH 5.5): 1061.22
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 38.90
ACD/KOC (pH 7.4): 133.00
Polar Surface Area: 119 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 461.1±7.0 cm3

Click to predict properties on the Chemicalize site


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