ChemSpider 2D Image | Dimethyl N-[(2-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]aspartate | C17H21BrN4O6S

Dimethyl N-[(2-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]aspartate

  • Molecular FormulaC17H21BrN4O6S
  • Average mass489.341 Da
  • Monoisotopic mass488.036499 Da
  • ChemSpider ID102396433

More details:

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

Aspartic acid, N-[[2-[4-[(4-bromophenyl)amino]-1,4-dioxobutyl]hydrazinyl]thioxomethyl]-, dimethyl ester [ACD/Index Name]
Dimethyl N-[(2-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]aspartate [ACD/IUPAC Name]
Dimethyl-N-[(2-{4-[(4-bromphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]aspartat [German] [ACD/IUPAC Name]
N-[(2-{4-[(4-Bromophényl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]aspartate de diméthyle [French] [ACD/IUPAC 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: 1.607
Molar Refractivity: 111.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.49
ACD/KOC (pH 5.5): 132.72
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.60
ACD/KOC (pH 7.4): 114.54
Polar Surface Area: 167 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 323.2±3.0 cm3

Click to predict properties on the Chemicalize site


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