ChemSpider 2D Image | N-{(1E)-3-{[1-(2-Chlorophenyl)-2-(4-fluorophenyl)-1-hydroxy-3-(1H-1,2,4-triazol-1-yl)-2-propanyl]sulfanyl}-1-[(E)-(2,2-dihydroxyethylidene)amino]-1-hydroxy-1-propen-2-yl}-5,5-dihydroxy-4-iminopentanam ide | C27H30ClFN6O7S

N-{(1E)-3-{[1-(2-Chlorophenyl)-2-(4-fluorophenyl)-1-hydroxy-3-(1H-1,2,4-triazol-1-yl)-2-propanyl]sulfanyl}-1-[(E)-(2,2-dihydroxyethylidene)amino]-1-hydroxy-1-propen-2-yl}-5,5-dihydroxy-4-iminopentanam ide

  • Molecular FormulaC27H30ClFN6O7S
  • Average mass637.080 Da
  • Monoisotopic mass636.156921 Da
  • ChemSpider ID95569513

  • Double-bond stereo - Double-bond stereo

More details:

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

N-{(1E)-3-{[1-(2-Chlorophenyl)-2-(4-fluorophenyl)-1-hydroxy-3-(1H-1,2,4-triazol-1-yl)-2-propanyl]sulfanyl}-1-[(E)-(2,2-dihydroxyethylidene)amino]-1-hydroxy-1-propen-2-yl}-5,5-dihydroxy-4-iminopentanam ide [ACD/IUPAC Name]
N-{(1E)-3-{[1-(2-Chlorophényl)-2-(4-fluorophényl)-1-hydroxy-3-(1H-1,2,4-triazol-1-yl)-2-propanyl]sulfanyl}-1-[(E)-(2,2-dihydroxyéthylidène)amino]-1-hydroxy-1-propén-2-yl}-5,5-dihydroxy-4-iminopentanam ide [French] [ACD/IUPAC Name]
N-{(1E)-3-{[1-(2-Chlorphenyl)-2-(4-fluorphenyl)-1-hydroxy-3-(1H-1,2,4-triazol-1-yl)-2-propanyl]sulfanyl}-1-[(E)-(2,2-dihydroxyethyliden)amino]-1-hydroxy-1-propen-2-yl}-5,5-dihydroxy-4-iminopentanamid [German] [ACD/IUPAC Name]
Pentanamide, N-[(E)-1-[[[2-(2-chlorophenyl)-1-(4-fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-ylmethyl)ethyl]thio]methyl]-2-[[(1E)-2,2-dihydroxyethylidene]amino]-2-hydroxyethenyl]-5,5-dihydroxy-4-imi no- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 156.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 3.70
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 243 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 420.2±7.0 cm3

Click to predict properties on the Chemicalize site


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