ChemSpider 2D Image | Ethyl {4-[3-(2,4-dihydroxy-5-isopropylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzyl}carbamate | C21H24N4O4S

Ethyl {4-[3-(2,4-dihydroxy-5-isopropylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzyl}carbamate

  • Molecular FormulaC21H24N4O4S
  • Average mass428.505 Da
  • Monoisotopic mass428.151825 Da
  • ChemSpider ID25060309

More details:

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

{4-[3-(2,4-Dihydroxy-5-isopropylphényl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzyl}carbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[[4-[3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-mercapto-4H-1,2,4-triazol-4-yl]phenyl]methyl]-, ethyl ester [ACD/Index Name]
ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate
Ethyl {4-[3-(2,4-dihydroxy-5-isopropylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzyl}carbamate [ACD/IUPAC Name]
Ethyl-{4-[3-(2,4-dihydroxy-5-isopropylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzyl}carbamat [German] [ACD/IUPAC Name]
BX-2819

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

819 [DBID]

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: 1.656
Molar Refractivity: 115.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 93.65
ACD/KOC (pH 5.5): 493.81
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 8.53
Polar Surface Area: 148 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 314.2±7.0 cm3

Click to predict properties on the Chemicalize site


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