ChemSpider 2D Image | Ethyl 2-({7-ethyl-6-[(3,4,5-trimethoxybenzyl)amino]-7H-purin-2-yl}amino)-4-methyl-1,3-thiazole-5-carboxylate | C24H29N7O5S

Ethyl 2-({7-ethyl-6-[(3,4,5-trimethoxybenzyl)amino]-7H-purin-2-yl}amino)-4-methyl-1,3-thiazole-5-carboxylate

  • Molecular FormulaC24H29N7O5S
  • Average mass527.596 Da
  • Monoisotopic mass527.195068 Da
  • ChemSpider ID8384054

More details:

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

2-({7-Éthyl-6-[(3,4,5-triméthoxybenzyl)amino]-7H-purin-2-yl}amino)-4-méthyl-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[[7-ethyl-6-[[(3,4,5-trimethoxyphenyl)methyl]amino]-7H-purin-2-yl]amino]-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-({7-ethyl-6-[(3,4,5-trimethoxybenzyl)amino]-7H-purin-2-yl}amino)-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-2-({7-ethyl-6-[(3,4,5-trimethoxybenzyl)amino]-7H-purin-2-yl}amino)-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
2-[7-Ethyl-6-(3,4,5-trimethoxy-benzylamino)-7H-purin-2-ylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL409919/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 724.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 391.7±35.7 °C
Index of Refraction: 1.657
Molar Refractivity: 138.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.92
ACD/KOC (pH 5.5): 785.23
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.33
ACD/KOC (pH 7.4): 789.36
Polar Surface Area: 163 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 375.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement