ChemSpider 2D Image | Methyl 1-{(3R,5S)-5-[(diphenylmethyl)carbamoyl]-1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-pyrrolidinyl}-1H-1,2,3-triazole-4-carboxylate | C32H33N5O4

Methyl 1-{(3R,5S)-5-[(diphenylmethyl)carbamoyl]-1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-pyrrolidinyl}-1H-1,2,3-triazole-4-carboxylate

  • Molecular FormulaC32H33N5O4
  • Average mass551.635 Da
  • Monoisotopic mass551.253235 Da
  • ChemSpider ID22862506

  • 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

1-{(3R,5S)-5-[(Diphénylméthyl)carbamoyl]-1-[(2E)-3-(2-méthoxyphényl)-2-propén-1-yl]-3-pyrrolidinyl}-1H-1,2,3-triazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[(3R,5S)-5-[[(diphenylmethyl)amino]carbonyl]-1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-pyrrolidinyl]-, methyl ester [ACD/Index Name]
Methyl 1-{(3R,5S)-5-[(diphenylmethyl)carbamoyl]-1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-pyrrolidinyl}-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-{(3R,5S)-5-[(diphenylmethyl)carbamoyl]-1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-pyrrolidinyl}-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]
methyl 1-{(3R,5S)-5-{[(diphenylmethyl)amino]carbonyl}-1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-pyrrolidinyl}-1H-1,2,3-triazole-4-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.629
Molar Refractivity: 158.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 415.58
ACD/KOC (pH 5.5): 1981.57
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1068.18
ACD/KOC (pH 7.4): 5093.33
Polar Surface Area: 99 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 445.8±7.0 cm3

Click to predict properties on the Chemicalize site


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