ChemSpider 2D Image | N-[(1s,2r)-1-(3,5-Difluorobenzyl)-3-({1-[4-(2,2-Dimethylpropyl)thiophen-2-Yl]cyclopropyl}amino)-2-Hydroxypropyl]acetamide | C24H32F2N2O2S

N-[(1s,2r)-1-(3,5-Difluorobenzyl)-3-({1-[4-(2,2-Dimethylpropyl)thiophen-2-Yl]cyclopropyl}amino)-2-Hydroxypropyl]acetamide

  • Molecular FormulaC24H32F2N2O2S
  • Average mass450.585 Da
  • Monoisotopic mass450.215240 Da
  • ChemSpider ID25060251

  • 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]-3-[[1-[4-(2,2-dimethylpropyl)-2-thienyl]cyclopropyl]amino]-2-hydroxypropyl]- [ACD/Index Name]
N-[(1s,2r)-1-(3,5-Difluorobenzyl)-3-({1-[4-(2,2-Dimethylpropyl)thiophen-2-Yl]cyclopropyl}amino)-2-Hydroxypropyl]acetamide
N-[(2S,3R)-1-(3,5-Difluorophenyl)-4-({1-[4-(2,2-dimethylpropyl)-2-thienyl]cyclopropyl}amino)-3-hydroxy-2-butanyl]acetamide [ACD/IUPAC Name]
N-[(2S,3R)-1-(3,5-Difluorophényl)-4-({1-[4-(2,2-diméthylpropyl)-2-thiényl]cyclopropyl}amino)-3-hydroxy-2-butanyl]acétamide [French] [ACD/IUPAC Name]
N-[(2S,3R)-1-(3,5-Difluorphenyl)-4-({1-[4-(2,2-dimethylpropyl)-2-thienyl]cyclopropyl}amino)-3-hydroxy-2-butanyl]acetamid [German] [ACD/IUPAC Name]

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

957 [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: 628.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 333.9±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 310.47
ACD/KOC (pH 5.5): 1323.91
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1533.60
ACD/KOC (pH 7.4): 6539.55
Polar Surface Area: 90 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 369.7±5.0 cm3

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