ChemSpider 2D Image | N-[(2S,3R)-4-{[(2R,4S)-2-Cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxy-2-butanyl]acetamide | C29H38F2N2O3

N-[(2S,3R)-4-{[(2R,4S)-2-Cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxy-2-butanyl]acetamide

  • Molecular FormulaC29H38F2N2O3
  • Average mass500.620 Da
  • Monoisotopic mass500.285034 Da
  • ChemSpider ID35035758
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Acetamide, N-[(1S,2R)-3-[[(2R,4S)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-1-[(3,5-difluorophenyl)methyl]-2-hydroxypropyl]- [ACD/Index Name]
N-[(2S,3R)-4-{[(2R,4S)-2-Cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxy-2-butanyl]acetamide [ACD/IUPAC Name]
N-[(2S,3R)-4-{[(2R,4S)-2-Cyclopropyl-6-(2,2-diméthylpropyl)-3,4-dihydro-2H-chromén-4-yl]amino}-1-(3,5-difluorophényl)-3-hydroxy-2-butanyl]acétamide [French] [ACD/IUPAC Name]
N-[(2s,3r)-4-{[(2r,4s)-2-Cyclopropyl-6-(2,2-Dimethylpropyl)-3,4-Dihydro-2h-Chromen-4-Yl]amino}-1-(3,5-Difluorophenyl)-3-Hydroxybutan-2-Yl]acetamide
N-[(2S,3R)-4-{[(2R,4S)-2-Cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino}-1-(3,5-difluorphenyl)-3-hydroxy-2-butanyl]acetamid [German] [ACD/IUPAC Name]
C6A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 679.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.6±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 41.19
ACD/KOC (pH 5.5): 109.81
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2080.29
ACD/KOC (pH 7.4): 5546.34
Polar Surface Area: 71 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 415.8±5.0 cm3

Click to predict properties on the Chemicalize site






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