ChemSpider 2D Image | (1aS,12bR)-8-Cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(3-methoxy-1-azetidinyl)carbonyl]amino}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide | C33H41N5O6S

(1aS,12bR)-8-Cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(3-methoxy-1-azetidinyl)carbonyl]amino}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide

  • Molecular FormulaC33H41N5O6S
  • Average mass635.773 Da
  • Monoisotopic mass635.277771 Da
  • ChemSpider ID34550878

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1aS,12bR)-8-Cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(3-methoxy-1-azetidinyl)carbonyl]amino}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepin-5-carboxamid [German] [ACD/IUPAC Name]
(1aS,12bR)-8-Cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(3-methoxy-1-azetidinyl)carbonyl]amino}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide [ACD/IUPAC Name]
(1aS,12bR)-8-Cyclohexyl-N-(diméthylsulfamoyl)-11-méthoxy-1a-{[(3-méthoxy-1-azétidinyl)carbonyl]amino}-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]-1,1a,2,12b-tetrahydro-11-methoxy-1a-[[(3-methoxy-1-azetidinyl)carbonyl]amino]-, (1aS,12bR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 168.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 47.92
ACD/KOC (pH 5.5): 279.86
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 5.92
ACD/KOC (pH 7.4): 34.60
Polar Surface Area: 131 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 434.6±7.0 cm3

Click to predict properties on the Chemicalize site


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