Found 46 results

Search term: MF = 'C_{29}H_{35}F_{2}N_{3}O_{2}'
ChemSpider 2D Image | 3-[(3R,4R,5S)-1-{[(3S,4R)-4-(2,4-Difluorophenyl)-1-(2-methyl-2-propanyl)-3-pyrrolidinyl]carbonyl}-4-hydroxy-3,5-dimethyl-4-piperidinyl]benzonitrile | C29H35F2N3O2

3-[(3R,4R,5S)-1-{[(3S,4R)-4-(2,4-Difluorophenyl)-1-(2-methyl-2-propanyl)-3-pyrrolidinyl]carbonyl}-4-hydroxy-3,5-dimethyl-4-piperidinyl]benzonitrile

  • Molecular FormulaC29H35F2N3O2
  • Average mass495.604 Da
  • Monoisotopic mass495.269745 Da
  • ChemSpider ID24671069

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-[(3R,4R,5S)-1-{[(3S,4R)-4-(2,4-Difluorophenyl)-1-(2-methyl-2-propanyl)-3-pyrrolidinyl]carbonyl}-4-hydroxy-3,5-dimethyl-4-piperidinyl]benzonitrile [ACD/IUPAC Name]
3-[(3R,4R,5S)-1-{[(3S,4R)-4-(2,4-Difluorophényl)-1-(2-méthyl-2-propanyl)-3-pyrrolidinyl]carbonyl}-4-hydroxy-3,5-diméthyl-4-pipéridinyl]benzonitrile [French] [ACD/IUPAC Name]
3-[(3R,4R,5S)-1-{[(3S,4R)-4-(2,4-Difluorphenyl)-1-(2-methyl-2-propanyl)-3-pyrrolidinyl]carbonyl}-4-hydroxy-3,5-dimethyl-4-piperidinyl]benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 3-[(3α,4α,5α)-1-[[(3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl]carbonyl]-4-hydroxy-3,5-dimethyl-4-piperidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 323.9±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 5.34
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 27.07
ACD/KOC (pH 7.4): 135.87
Polar Surface Area: 68 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 401.2±5.0 cm3

Click to predict properties on the Chemicalize site


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