ChemSpider 2D Image | 1-{(2R)-1-[(4S)-4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl]-3-methyl-1-oxo-2-butanyl}-3-(2-hydroxy-2-methylpropyl)urea | C23H36ClN3O4

1-{(2R)-1-[(4S)-4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl]-3-methyl-1-oxo-2-butanyl}-3-(2-hydroxy-2-methylpropyl)urea

  • Molecular FormulaC23H36ClN3O4
  • Average mass454.003 Da
  • Monoisotopic mass453.239441 Da
  • ChemSpider ID58117293
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1-{(2R)-1-[(4S)-4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl]-3-methyl-1-oxo-2-butanyl}-3-(2-hydroxy-2-methylpropyl)urea [ACD/IUPAC Name]
1-{(2R)-1-[(4S)-4-(4-Chlorophényl)-4-hydroxy-3,3-diméthyl-1-pipéridinyl]-3-méthyl-1-oxo-2-butanyl}-3-(2-hydroxy-2-méthylpropyl)urée [French] [ACD/IUPAC Name]
1-{(2R)-1-[(4S)-4-(4-Chlorphenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl]-3-methyl-1-oxo-2-butanyl}-3-(2-hydroxy-2-methylpropyl)harnstoff [German] [ACD/IUPAC Name]
1202400-18-7 [RN]
Urea, N-[(1R)-1-[[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl]carbonyl]-2-methylpropyl]-N'-(2-hydroxy-2-methylpropyl)- [ACD/Index Name]
1-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)urea
1478140-54-3 [RN]
Bms-817399
Urea, N-((1R)-1-(((4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl)carbonyl)-2-methylpropyl)-N'-(2-hydroxy-2-methylpropyl)-

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

AKQ3X6FEH0 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 660.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.4±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 121.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.66
ACD/KOC (pH 5.5): 813.28
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.66
ACD/KOC (pH 7.4): 813.26
Polar Surface Area: 102 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 383.8±3.0 cm3

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