ChemSpider 2D Image | (4S)-1-[4-(Aminomethyl)-3-methoxybenzoyl]-4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-N-(2,2-diphenylethyl)-L-prolinamide | C33H36N6O3

(4S)-1-[4-(Aminomethyl)-3-methoxybenzoyl]-4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-N-(2,2-diphenylethyl)-L-prolinamide

  • Molecular FormulaC33H36N6O3
  • Average mass564.677 Da
  • Monoisotopic mass564.284912 Da
  • ChemSpider ID128441000

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-1-[4-(Aminomethyl)-3-methoxybenzoyl]-4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-N-(2,2-diphenylethyl)-L-prolinamid [German] [ACD/IUPAC Name]
(4S)-1-[4-(Aminomethyl)-3-methoxybenzoyl]-4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-N-(2,2-diphenylethyl)-L-prolinamide [ACD/IUPAC Name]
(4S)-1-[4-(Aminométhyl)-3-méthoxybenzoyl]-4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-N-(2,2-diphényléthyl)-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[4-(aminomethyl)-3-methoxybenzoyl]-4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-N-(2,2-diphenylethyl)-, (2S,4S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4476255/

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: 1.685
Molar Refractivity: 161.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.79
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 18.44
Polar Surface Area: 115 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 424.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement