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

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

  • Molecular FormulaC30H37N3O8S2
  • Average mass631.760 Da
  • Monoisotopic mass631.202209 Da
  • ChemSpider ID26395995

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzenesulfonamide, N-[[(2S,3S)-2,3,4,5,6,7-hexahydro-5-[(1R)-2-hydroxy-1-methylethyl]-3-methyl-6-oxo-9-[(phenylsulfonyl)amino]-1,5-benzoxazonin-2-yl]methyl]-4-methoxy-N-methyl- [ACD/Index Name]
N-({(2S,3S)-5-[(2R)-1-Hydroxy-2-propanyl]-3-methyl-6-oxo-9-[(phenylsulfonyl)amino]-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl}methyl)-4-methoxy-N-methylbenzenesulfonamide [ACD/IUPAC Name]
N-({(2S,3S)-5-[(2R)-1-Hydroxy-2-propanyl]-3-méthyl-6-oxo-9-[(phénylsulfonyl)amino]-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl}méthyl)-4-méthoxy-N-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-({(2S,3S)-5-[(2R)-1-Hydroxy-2-propanyl]-3-methyl-6-oxo-9-[(phenylsulfonyl)amino]-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl}methyl)-4-methoxy-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): 239.24
ACD/KOC (pH 5.5): 1755.30
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 235.00
ACD/KOC (pH 7.4): 1724.20
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


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