Found 99 results

Search term: MF = 'C_{29}H_{31}N_{7}O_{4}S'
ChemSpider 2D Image | Ethyl 2-[(6-{[4-(benzyloxy)-3-methoxybenzyl]amino}-7-ethyl-7H-purin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate | C29H31N7O4S

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

  • Molecular FormulaC29H31N7O4S
  • Average mass573.666 Da
  • Monoisotopic mass573.215820 Da
  • ChemSpider ID8385654

More details:

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

2-[(6-{[4-(Benzyloxy)-3-méthoxybenzyl]amino}-7-éthyl-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-methoxy-4-(phenylmethoxy)phenyl]methyl]amino]-7H-purin-2-yl]amino]-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-[(6-{[4-(benzyloxy)-3-methoxybenzyl]amino}-7-ethyl-7H-purin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-2-[(6-{[4-(benzyloxy)-3-methoxybenzyl]amino}-7-ethyl-7H-purin-2-yl)amino]-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
2-[6-(4-Benzyloxy-3-methoxy-benzylamino)-7-ethyl-7H-purin-2-ylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL327267/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 774.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.5±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 157.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2745.01
ACD/KOC (pH 5.5): 10048.39
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2762.83
ACD/KOC (pH 7.4): 10113.61
Polar Surface Area: 154 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 422.8±7.0 cm3

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