ChemSpider 2D Image | N-{[(2R,3S)-5-[(2R)-1-Hydroxy-2-propanyl]-9-{[(4-methoxyphenyl)sulfonyl]amino}-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl]methyl}-N-methylbenzenesulfonamide | C30H37N3O8S2

N-{[(2R,3S)-5-[(2R)-1-Hydroxy-2-propanyl]-9-{[(4-methoxyphenyl)sulfonyl]amino}-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl]methyl}-N-methylbenzenesulfonamide

  • Molecular FormulaC30H37N3O8S2
  • Average mass631.760 Da
  • Monoisotopic mass631.202209 Da
  • ChemSpider ID29405212

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzenesulfonamide, N-[[(2R,3S)-2,3,4,5,6,7-hexahydro-5-[(1R)-2-hydroxy-1-methylethyl]-9-[[(4-methoxyphenyl)sulfonyl]amino]-3-methyl-6-oxo-1,5-benzoxazonin-2-yl]methyl]-N-methyl- [ACD/Index Name]
N-{[(2R,3S)-5-[(2R)-1-Hydroxy-2-propanyl]-9-{[(4-methoxyphenyl)sulfonyl]amino}-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl]methyl}-N-methylbenzenesulfonamide [ACD/IUPAC Name]
N-{[(2R,3S)-5-[(2R)-1-Hydroxy-2-propanyl]-9-{[(4-méthoxyphényl)sulfonyl]amino}-3-méthyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl]méthyl}-N-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-{[(2R,3S)-5-[(2R)-1-Hydroxy-2-propanyl]-9-{[(4-methoxyphenyl)sulfonyl]amino}-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl]methyl}-N-methylbenzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 811.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 444.6±37.1 °C
Index of Refraction: 1.595
Molar Refractivity: 163.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 239.20
ACD/KOC (pH 5.5): 1754.99
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 231.82
ACD/KOC (pH 7.4): 1700.84
Polar Surface Area: 159 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 481.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement