ChemSpider 2D Image | (4R)-1-(3-Methyl-2-buten-1-yl)-4-(1H-tetrazol-1-yl)-N-[3-(trifluoromethyl)benzyl]-L-prolinamide | C19H23F3N6O

(4R)-1-(3-Methyl-2-buten-1-yl)-4-(1H-tetrazol-1-yl)-N-[3-(trifluoromethyl)benzyl]-L-prolinamide

  • Molecular FormulaC19H23F3N6O
  • Average mass408.421 Da
  • Monoisotopic mass408.188538 Da
  • ChemSpider ID52598827

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-(3-Methyl-2-buten-1-yl)-4-(1H-tetrazol-1-yl)-N-[3-(trifluormethyl)benzyl]-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-(3-Methyl-2-buten-1-yl)-4-(1H-tetrazol-1-yl)-N-[3-(trifluoromethyl)benzyl]-L-prolinamide [ACD/IUPAC Name]
(4R)-1-(3-Méthyl-2-butén-1-yl)-4-(1H-tétrazol-1-yl)-N-[3-(trifluorométhyl)benzyl]-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-(3-methyl-2-buten-1-yl)-4-(1H-tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-, (2S,4R)- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 103.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 9.60
ACD/KOC (pH 5.5): 129.95
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.12
ACD/KOC (pH 7.4): 366.98
Polar Surface Area: 76 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 302.8±7.0 cm3

Click to predict properties on the Chemicalize site


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