ChemSpider 2D Image | N-[(2S,3S)-5-[(2R)-1-Hydroxy-2-propanyl]-2-{[(isopropylcarbamoyl)(methyl)amino]methyl}-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl]-2-thiophenesulfonamide | C24H34N4O6S2

N-[(2S,3S)-5-[(2R)-1-Hydroxy-2-propanyl]-2-{[(isopropylcarbamoyl)(methyl)amino]methyl}-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl]-2-thiophenesulfonamide

  • Molecular FormulaC24H34N4O6S2
  • Average mass538.680 Da
  • Monoisotopic mass538.191956 Da
  • ChemSpider ID26641782

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Thiophenesulfonamide, N-[(2S,3S)-3,4,5,6-tetrahydro-5-[(1R)-2-hydroxy-1-methylethyl]-3-methyl-2-[[methyl[[(1-methylethyl)amino]carbonyl]amino]methyl]-6-oxo-2H-1,5-benzoxazocin-8-yl]- [ACD/Index Name]
N-[(2S,3S)-5-[(2R)-1-Hydroxy-2-propanyl]-2-{[(isopropylcarbamoyl)(methyl)amino]methyl}-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl]-2-thiophenesulfonamide [ACD/IUPAC Name]
N-[(2S,3S)-5-[(2R)-1-Hydroxy-2-propanyl]-2-{[(isopropylcarbamoyl)(méthyl)amino]méthyl}-3-méthyl-6-oxo-3,4,5,6-tétrahydro-2H-1,5-benzoxazocin-8-yl]-2-thiophènesulfonamide [French] [ACD/IUPAC Name]
N-[(2S,3S)-5-[(2R)-1-Hydroxy-2-propanyl]-2-{[(isopropylcarbamoyl)(methyl)amino]methyl}-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl]-2-thiophensulfonamid [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.63
ACD/KOC (pH 5.5): 236.25
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 5.99
ACD/KOC (pH 7.4): 96.77
Polar Surface Area: 165 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 415.7±3.0 cm3

Click to predict properties on the Chemicalize site


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