ChemSpider 2D Image | N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide | C24H31Cl2N3O5S

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

  • Molecular FormulaC24H31Cl2N3O5S
  • Average mass544.491 Da
  • Monoisotopic mass543.136169 Da
  • ChemSpider ID28657845

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Methanesulfonamide, N-[(2R,3S)-2-[[[(3,4-dichlorophenyl)methyl]methylamino]methyl]-3,4,5,6-tetrahydro-5-[(1R)-2-hydroxy-1-methylethyl]-3-methyl-6-oxo-2H-1,5-benzoxazocin-10-yl]- [ACD/Index Name]
N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
N-{(2R,3S)-2-{[(3,4-Dichlorbenzyl)(methyl)amino]methyl}-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl}methansulfonamid [German] [ACD/IUPAC Name]
N-{(2R,3S)-2-{[(3,4-Dichlorobenzyl)(methyl)amino]methyl}-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl}methanesulfonamide [ACD/IUPAC Name]
N-{(2R,3S)-2-{[(3,4-Dichlorobenzyl)(méthyl)amino]méthyl}-5-[(2R)-1-hydroxy-2-propanyl]-3-méthyl-6-oxo-3,4,5,6-tétrahydro-2H-1,5-benzoxazocin-10-yl}méthanesulfonamide [French] [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: 680.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 365.6±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 3.62
ACD/KOC (pH 5.5): 36.21
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 48.65
ACD/KOC (pH 7.4): 487.03
Polar Surface Area: 108 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 406.4±3.0 cm3

Click to predict properties on the Chemicalize site


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