ChemSpider 2D Image | N-[(5R,14R)-5-Amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-N-methylmethanesulfonamide | C24H33N3O4S

N-[(5R,14R)-5-Amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-N-methylmethanesulfonamide

  • Molecular FormulaC24H33N3O4S
  • Average mass459.602 Da
  • Monoisotopic mass459.219177 Da
  • ChemSpider ID25058977

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Methanesulfonamide, N-[(5R,14R)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.17,11]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl]-N-methyl- [ACD/Index Name]
N-[(5R,14R)-5-Amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-N-methylmethanesulfonamide [ACD/IUPAC Name]
N-[(5R,14R)-5-Amino-5,14-diméthyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaén-19-yl]-N-méthylméthanesulfonamide [French] [ACD/IUPAC Name]
N-[(5R,14R)-5-Amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-N-methylmethansulfonamid [German] [ACD/IUPAC Name]
35A
N-[(5R,14R)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.17,11]docosa-1(20),7(22),8,10,17(21),18-hexaen-19-yl]-N-methylmethanesulfonamide
N-[(5R,14R)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1⁷,¹¹]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl]-N-methylmethanesulfonamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.7±34.3 °C
Index of Refraction: 1.551
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 27.44
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 72.85
ACD/KOC (pH 7.4): 674.62
Polar Surface Area: 111 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 393.8±3.0 cm3

Click to predict properties on the Chemicalize site


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