ChemSpider 2D Image | 1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea | C31H34ClF3N4O6S

1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea

  • Molecular FormulaC31H34ClF3N4O6S
  • Average mass683.138 Da
  • Monoisotopic mass682.183960 Da
  • ChemSpider ID28653754

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea
4-Chlor-N-{[(2R,3S)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-9-({[4-(trifluormethyl)phenyl]carbamoyl}amino)-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl]methyl}-N-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
4-Chloro-N-{[(2R,3S)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-9-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl]methyl}-N-methylbenzenesulfonamide [ACD/IUPAC Name]
4-Chloro-N-{[(2R,3S)-5-[(2R)-1-hydroxy-2-propanyl]-3-méthyl-6-oxo-9-({[4-(trifluorométhyl)phényl]carbamoyl}amino)-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-2-yl]méthyl}-N-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-chloro-N-[[(2R,3S)-2,3,4,5,6,7-hexahydro-5-[(1R)-2-hydroxy-1-methylethyl]-3-methyl-6-oxo-9-[[[[4-(trifluoromethyl)phenyl]amino]carbonyl]amino]-1,5-benzoxazonin-2-yl]methyl]-N-met hyl- [ACD/Index Name]
BRD70326

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.590
Molar Refractivity: 166.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5706.73
ACD/KOC (pH 5.5): 16998.63
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5706.28
ACD/KOC (pH 7.4): 16997.27
Polar Surface Area: 137 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 494.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement