ChemSpider 2D Image | 1-(4-chlorophenyl)-3-[(2S,3S,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea | C23H25ClFN5O3

1-(4-chlorophenyl)-3-[(2S,3S,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea

  • Molecular FormulaC23H25ClFN5O3
  • Average mass473.928 Da
  • Monoisotopic mass473.162994 Da
  • ChemSpider ID28660429

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-4-{[(4-chlorophenyl)carbamoyl]amino}-2,3,4-trideoxy-1-{2-[4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl]ethyl}-D-erythro-hexitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-4-{[(4-chlorophényl)carbamoyl]amino}-2,3,4-tridésoxy-1-{2-[4-(2-fluorophényl)-1H-1,2,3-triazol-1-yl]éthyl}-D-érythro-hexitol [French] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-4-{[(4-chlorphenyl)carbamoyl]amino}-2,3,4-tridesoxy-1-{2-[4-(2-fluorphenyl)-1H-1,2,3-triazol-1-yl]ethyl}-D-erythro-hexitol [German] [ACD/IUPAC Name]
1-(4-chlorophenyl)-3-[(2S,3S,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
D-ribo-Octitol, 3,7-anhydro-6-[[[(4-chlorophenyl)amino]carbonyl]amino]-1,2,4,5,6-pentadeoxy-1-[4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl]- [ACD/Index Name]

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: 1.658
Molar Refractivity: 122.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 317.54
ACD/KOC (pH 5.5): 2149.78
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 317.52
ACD/KOC (pH 7.4): 2149.62
Polar Surface Area: 101 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 331.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement