ChemSpider 2D Image | N-{[(2R,3R)-5-[(2S)-1-Hydroxy-2-propanyl]-3-methyl-10-{[(4-methylphenyl)sulfonyl]amino}-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-2-yl]methyl}-4-methoxy-N-methylbenzenesulfonamide | C30H37N3O8S2

N-{[(2R,3R)-5-[(2S)-1-Hydroxy-2-propanyl]-3-methyl-10-{[(4-methylphenyl)sulfonyl]amino}-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-2-yl]methyl}-4-methoxy-N-methylbenzenesulfonamide

  • Molecular FormulaC30H37N3O8S2
  • Average mass631.760 Da
  • Monoisotopic mass631.202209 Da
  • ChemSpider ID26639402

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzenesulfonamide, 4-methoxy-N-methyl-N-[[(2R,3R)-3,4,5,6-tetrahydro-5-[(1S)-2-hydroxy-1-methylethyl]-3-methyl-10-[[(4-methylphenyl)sulfonyl]amino]-6-oxo-2H-1,5-benzoxazocin-2-yl]methyl]- [ACD/Index Name]
N-{[(2R,3R)-5-[(2S)-1-Hydroxy-2-propanyl]-3-methyl-10-{[(4-methylphenyl)sulfonyl]amino}-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-2-yl]methyl}-4-methoxy-N-methylbenzenesulfonamide [ACD/IUPAC Name]
N-{[(2R,3R)-5-[(2S)-1-Hydroxy-2-propanyl]-3-méthyl-10-{[(4-méthylphényl)sulfonyl]amino}-6-oxo-3,4,5,6-tétrahydro-2H-1,5-benzoxazocin-2-yl]méthyl}-4-méthoxy-N-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-{[(2R,3R)-5-[(2S)-1-Hydroxy-2-propanyl]-3-methyl-10-{[(4-methylphenyl)sulfonyl]amino}-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-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: 800.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 438.2±37.1 °C
Index of Refraction: 1.598
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: 3.90
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 335.87
ACD/KOC (pH 5.5): 2237.02
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 302.90
ACD/KOC (pH 7.4): 2017.44
Polar Surface Area: 159 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 480.3±3.0 cm3

Click to predict properties on the Chemicalize site


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