ChemSpider 2D Image | (3R,4R)-N-[4-Chloro-3-(methylsulfonyl)phenyl]-3-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1-pyrrolidinecarboxamide | C14H16ClN5O4S

(3R,4R)-N-[4-Chloro-3-(methylsulfonyl)phenyl]-3-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1-pyrrolidinecarboxamide

  • Molecular FormulaC14H16ClN5O4S
  • Average mass385.826 Da
  • Monoisotopic mass385.061157 Da
  • ChemSpider ID64994633

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-N-[4-Chlor-3-(methylsulfonyl)phenyl]-3-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3R,4R)-N-[4-Chloro-3-(methylsulfonyl)phenyl]-3-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3R,4R)-N-[4-Chloro-3-(méthylsulfonyl)phényl]-3-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxamide, N-[4-chloro-3-(methylsulfonyl)phenyl]-3-hydroxy-4-(1H-1,2,3-triazol-1-yl)-, (3R,4R)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.730
Molar Refractivity: 92.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.53
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.53
Polar Surface Area: 126 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 71.0±7.0 dyne/cm
Molar Volume: 231.4±7.0 cm3

Click to predict properties on the Chemicalize site


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