ChemSpider 2D Image | N-[(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-({1-[3-(1h-Pyrazol-1-Yl)phenyl]cyclohexyl}amino)propyl]acetamide | C27H32F2N4O2

N-[(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-({1-[3-(1h-Pyrazol-1-Yl)phenyl]cyclohexyl}amino)propyl]acetamide

  • Molecular FormulaC27H32F2N4O2
  • Average mass482.565 Da
  • Monoisotopic mass482.249329 Da
  • ChemSpider ID24634043

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[[1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl]amino]propyl]- [ACD/Index Name]
N-[(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-({1-[3-(1h-Pyrazol-1-Yl)phenyl]cyclohexyl}amino)propyl]acetamide
N-[(2S,3R)-1-(3,5-Difluorophenyl)-3-hydroxy-4-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)-2-butanyl]acetamide [ACD/IUPAC Name]
N-[(2S,3R)-1-(3,5-Difluorophényl)-3-hydroxy-4-({1-[3-(1H-pyrazol-1-yl)phényl]cyclohexyl}amino)-2-butanyl]acétamide [French] [ACD/IUPAC Name]
N-[(2S,3R)-1-(3,5-Difluorphenyl)-3-hydroxy-4-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)-2-butanyl]acetamid [German] [ACD/IUPAC Name]

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

842 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 695.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.3±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 131.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 15.83
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 152.06
ACD/KOC (pH 7.4): 808.36
Polar Surface Area: 79 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 382.5±7.0 cm3

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