Found 1 result

Search term: NRAQMBSBKYAKMR-DVKRWUGUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,4R)-1-Acetyl-4-[4-cyclopropyl-5-(cis-3-isobutylcyclobutyl)-4H-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-3-pyrrolidinecarboxamide | C28H39N5O2

(3R,4R)-1-Acetyl-4-[4-cyclopropyl-5-(cis-3-isobutylcyclobutyl)-4H-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-3-pyrrolidinecarboxamide

  • Molecular FormulaC28H39N5O2
  • Average mass477.642 Da
  • Monoisotopic mass477.310364 Da
  • ChemSpider ID58913136

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4R)-1-Acetyl-4-[4-cyclopropyl-5-(cis-3-isobutylcyclobutyl)-4H-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3R,4R)-1-Acetyl-4-[4-cyclopropyl-5-(cis-3-isobutylcyclobutyl)-4H-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3R,4R)-1-Acétyl-4-[4-cyclopropyl-5-(cis-3-isobutylcyclobutyl)-4H-1,2,4-triazol-3-yl]-N-(2,4-diméthylphényl)-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-acetyl-4-[4-cyclopropyl-5-[cis-3-(2-methylpropyl)cyclobutyl]-4H-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-, (3R,4R)- [ACD/Index Name]
(3r,4r)-4-[4-Cyclopropyl-5-[3-(2-Methylpropyl)cyclobutyl]-1,2,4-Triazol-3-Yl]-N-(2,4-Dimethylphenyl)-1-Ethanoyl-Pyrrolidine-3-Carboxamide
82O

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: 1.669
Molar Refractivity: 136.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1304.94
ACD/KOC (pH 5.5): 5891.34
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1320.95
ACD/KOC (pH 7.4): 5963.63
Polar Surface Area: 80 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 366.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement