ethyl 6-{[8-(4-hydroxyanilino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[8-(4-hydroxyanilino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[8-(4-hydroxyanilino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8019-7541 |
| Compound Name: | ethyl 6-{[8-(4-hydroxyanilino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 573.61 |
| Molecular Formula: | C29 H31 N7 O6 |
| Smiles: | CCOC(C1C(c2ccc(C)cc2)NC(N(C)C=1Cn1c2C(N(C)C(N(C)c2nc1Nc1ccc(cc1)O)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.656 |
| logD: | 3.6538 |
| logSw: | -3.7279 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.693 |
| InChI Key: | OJJDJOBCTKUGLN-JOCHJYFZSA-N |