ChemSpider 2D Image | N-[(3S)-1-{(1S,2R,4R)-4-[Isopropyl(methyl)amino]-2-[(phenylsulfonyl)methyl]cyclohexyl}-2,5-dioxo-3-pyrrolidinyl]-3-(trifluoromethyl)benzamide | C29H34F3N3O5S

N-[(3S)-1-{(1S,2R,4R)-4-[Isopropyl(methyl)amino]-2-[(phenylsulfonyl)methyl]cyclohexyl}-2,5-dioxo-3-pyrrolidinyl]-3-(trifluoromethyl)benzamide

  • Molecular FormulaC29H34F3N3O5S
  • Average mass593.658 Da
  • Monoisotopic mass593.217102 Da
  • ChemSpider ID24670126

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

746669-62-5 [RN]
Benzamide, N-[(3S)-1-[(1S,2R,4R)-4-[methyl(1-methylethyl)amino]-2-[(phenylsulfonyl)methyl]cyclohexyl]-2,5-dioxo-3-pyrrolidinyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-[(3S)-1-[(1S,2R,4R)-4-[Methyl(1-methylethyl)amino]-2-[(phenylsulfonyl)methyl]cyclohexyl]-2,5-dioxo-3-pyrrolidinyl]-3-(trifluoromethyl)benzamide
N-[(3S)-1-{(1S,2R,4R)-4-[Isopropyl(methyl)amino]-2-[(phenylsulfonyl)methyl]cyclohexyl}-2,5-dioxo-3-pyrrolidinyl]-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[(3S)-1-{(1S,2R,4R)-4-[Isopropyl(methyl)amino]-2-[(phenylsulfonyl)methyl]cyclohexyl}-2,5-dioxo-3-pyrrolidinyl]-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[(3S)-1-{(1S,2R,4R)-4-[Isopropyl(méthyl)amino]-2-[(phénylsulfonyl)méthyl]cyclohexyl}-2,5-dioxo-3-pyrrolidinyl]-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 745.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.4±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.45
Polar Surface Area: 112 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 436.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement