ChemSpider 2D Image | Methyl 4-{[(2S,4R)-2-{[2-(3-chlorophenyl)ethyl]carbamoyl}-4-(1H-tetrazol-1-yl)-1-pyrrolidinyl]methyl}benzoate | C23H25ClN6O3

Methyl 4-{[(2S,4R)-2-{[2-(3-chlorophenyl)ethyl]carbamoyl}-4-(1H-tetrazol-1-yl)-1-pyrrolidinyl]methyl}benzoate

  • Molecular FormulaC23H25ClN6O3
  • Average mass468.936 Da
  • Monoisotopic mass468.167664 Da
  • ChemSpider ID23037967

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{[(2S,4R)-2-{[2-(3-Chlorophényl)éthyl]carbamoyl}-4-(1H-tétrazol-1-yl)-1-pyrrolidinyl]méthyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2S,4R)-2-[[[2-(3-chlorophenyl)ethyl]amino]carbonyl]-4-(1H-tetrazol-1-yl)-1-pyrrolidinyl]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[(2S,4R)-2-{[2-(3-chlorophenyl)ethyl]carbamoyl}-4-(1H-tetrazol-1-yl)-1-pyrrolidinyl]methyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[(2S,4R)-2-{[2-(3-chlorphenyl)ethyl]carbamoyl}-4-(1H-tetrazol-1-yl)-1-pyrrolidinyl]methyl}benzoat [German] [ACD/IUPAC Name]
methyl 4-{[(2S,4R)-2-({[2-(3-chlorophenyl)ethyl]amino}carbonyl)-4-(1H-tetrazol-1-yl)-1-pyrrolidinyl]methyl}benzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 126.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 51.74
ACD/KOC (pH 5.5): 548.07
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.51
ACD/KOC (pH 7.4): 693.91
Polar Surface Area: 102 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 338.3±7.0 cm3

Click to predict properties on the Chemicalize site


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