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Search term: XPNTZDKIYNVUSU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[3,5-Bis(trifluoromethyl)benzyl]-3-(3,4-dihydro-2H-chromen-4-ylamino)-1-isopropylcyclopentanecarboxamide | C27H30F6N2O2

N-[3,5-Bis(trifluoromethyl)benzyl]-3-(3,4-dihydro-2H-chromen-4-ylamino)-1-isopropylcyclopentanecarboxamide

  • Molecular FormulaC27H30F6N2O2
  • Average mass528.530 Da
  • Monoisotopic mass528.221130 Da
  • ChemSpider ID24719812

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Cyclopentanecarboxamide, N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-dihydro-2H-1-benzopyran-4-yl)amino]-1-(1-methylethyl)- [ACD/Index Name]
N-[3,5-Bis(trifluormethyl)benzyl]-3-(3,4-dihydro-2H-chromen-4-ylamino)-1-isopropylcyclopentancarboxamid [German] [ACD/IUPAC Name]
N-[3,5-Bis(trifluoromethyl)benzyl]-3-(3,4-dihydro-2H-chromen-4-ylamino)-1-isopropylcyclopentanecarboxamide [ACD/IUPAC Name]
N-[3,5-Bis(trifluorométhyl)benzyl]-3-(3,4-dihydro-2H-chromén-4-ylamino)-1-isopropylcyclopentanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 560.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.7±30.1 °C
Index of Refraction: 1.536
Molar Refractivity: 126.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 25.85
ACD/KOC (pH 5.5): 52.35
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 652.56
ACD/KOC (pH 7.4): 1321.34
Polar Surface Area: 50 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 405.9±5.0 cm3

Click to predict properties on the Chemicalize site


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