ChemSpider 2D Image | (1S,3R)-N-[3,5-Bis(trifluoromethyl)benzyl]-3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-isopropylcyclopentanecarboxamide | C27H30F6N2O2

(1S,3R)-N-[3,5-Bis(trifluoromethyl)benzyl]-3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-isopropylcyclopentanecarboxamide

  • Molecular FormulaC27H30F6N2O2
  • Average mass528.530 Da
  • Monoisotopic mass528.221130 Da
  • ChemSpider ID30838087
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(1S,3R)-N-[3,5-Bis(trifluormethyl)benzyl]-3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-isopropylcyclopentancarboxamid [German] [ACD/IUPAC Name]
(1S,3R)-N-[3,5-Bis(trifluoromethyl)benzyl]-3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-isopropylcyclopentanecarboxamide [ACD/IUPAC Name]
(1S,3R)-N-[3,5-Bis(trifluorométhyl)benzyl]-3-[(4-hydroxy-2,3-dihydro-1H-indén-1-yl)amino]-1-isopropylcyclopentanecarboxamide [French] [ACD/IUPAC Name]
Cyclopentanecarboxamide, N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(2,3-dihydro-4-hydroxy-1H-inden-1-yl)amino]-1-(1-methylethyl)-, (1S,3R)- [ACD/Index Name]
10.1021/jm4011737

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

Density: 1.3±0.1 g/cm3
Boiling Point: 576.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 302.6±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 126.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 8.37
ACD/KOC (pH 5.5): 22.23
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 130.45
ACD/KOC (pH 7.4): 346.49
Polar Surface Area: 61 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 396.7±5.0 cm3

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