ChemSpider 2D Image | (4R)-1-[4-(Benzyloxy)-3-methoxybenzyl]-N-[2-(3-chlorophenyl)ethyl]-4-(1H-tetrazol-1-yl)-L-prolinamide | C29H31ClN6O3

(4R)-1-[4-(Benzyloxy)-3-methoxybenzyl]-N-[2-(3-chlorophenyl)ethyl]-4-(1H-tetrazol-1-yl)-L-prolinamide

  • Molecular FormulaC29H31ClN6O3
  • Average mass547.048 Da
  • Monoisotopic mass546.214600 Da
  • ChemSpider ID22861031

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-[4-(Benzyloxy)-3-methoxybenzyl]-N-[2-(3-chlorophenyl)ethyl]-4-(1H-tetrazol-1-yl)-L-prolinamide [ACD/IUPAC Name]
(4R)-1-[4-(Benzyloxy)-3-méthoxybenzyl]-N-[2-(3-chlorophényl)éthyl]-4-(1H-tétrazol-1-yl)-L-prolinamide [French] [ACD/IUPAC Name]
(4R)-1-[4-(Benzyloxy)-3-methoxybenzyl]-N-[2-(3-chlorphenyl)ethyl]-4-(1H-tetrazol-1-yl)-L-prolinamid [German] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[2-(3-chlorophenyl)ethyl]-1-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]-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: 1.651
Molar Refractivity: 151.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 355.99
ACD/KOC (pH 5.5): 2111.37
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 503.15
ACD/KOC (pH 7.4): 2984.19
Polar Surface Area: 94 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 415.3±7.0 cm3

Click to predict properties on the Chemicalize site


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