ChemSpider 2D Image | (4R)-N-(2-Chlorobenzyl)-1-[(2E)-3-phenyl-2-propen-1-yl]-4-(1H-tetrazol-1-yl)-L-prolinamide | C22H23ClN6O

(4R)-N-(2-Chlorobenzyl)-1-[(2E)-3-phenyl-2-propen-1-yl]-4-(1H-tetrazol-1-yl)-L-prolinamide

  • Molecular FormulaC22H23ClN6O
  • Average mass422.911 Da
  • Monoisotopic mass422.162201 Da
  • ChemSpider ID22863168

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-N-(2-Chlorbenzyl)-1-[(2E)-3-phenyl-2-propen-1-yl]-4-(1H-tetrazol-1-yl)-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-N-(2-Chlorobenzyl)-1-[(2E)-3-phenyl-2-propen-1-yl]-4-(1H-tetrazol-1-yl)-L-prolinamide [ACD/IUPAC Name]
(4R)-N-(2-Chlorobenzyl)-1-[(2E)-3-phényl-2-propén-1-yl]-4-(1H-tétrazol-1-yl)-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[(2-chlorophenyl)methyl]-1-[(2E)-3-phenyl-2-propen-1-yl]-4-(1H-tetrazol-1-yl)-, (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: 1.670
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 43.96
ACD/KOC (pH 5.5): 423.92
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.25
ACD/KOC (pH 7.4): 870.29
Polar Surface Area: 76 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 319.5±7.0 cm3

Click to predict properties on the Chemicalize site


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