ChemSpider 2D Image | Methyl 4-[(3-chlorobenzyl)amino]-2-{[(3-chlorobenzyl)amino]methyl}-5-methylthieno[2,3-d]pyrimidine-6-carboxylate | C24H22Cl2N4O2S

Methyl 4-[(3-chlorobenzyl)amino]-2-{[(3-chlorobenzyl)amino]methyl}-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC24H22Cl2N4O2S
  • Average mass501.428 Da
  • Monoisotopic mass500.084045 Da
  • ChemSpider ID1593132

More details:

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

4-[(3-Chlorobenzyl)amino]-2-{[(3-chlorobenzyl)amino]méthyl}-5-méthylthiéno[2,3-d]pyrimidine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-[(3-chlorobenzyl)amino]-2-{[(3-chlorobenzyl)amino]methyl}-5-methylthieno[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Methyl-4-[(3-chlorbenzyl)amino]-2-{[(3-chlorbenzyl)amino]methyl}-5-methylthieno[2,3-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 4-[[(3-chlorophenyl)methyl]amino]-2-[[[(3-chlorophenyl)methyl]amino]methyl]-5-methyl-, methyl ester [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: 1.685
Molar Refractivity: 136.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 14320.97
ACD/KOC (pH 5.5): 22481.60
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 52485.96
ACD/KOC (pH 7.4): 82394.43
Polar Surface Area: 104 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 360.0±3.0 cm3

Click to predict properties on the Chemicalize site


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