ethyl 6-{[1,3-dimethyl-8-(4-methylanilino)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[1,3-dimethyl-8-(4-methylanilino)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[1,3-dimethyl-8-(4-methylanilino)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8019-0110 |
| Compound Name: | ethyl 6-{[1,3-dimethyl-8-(4-methylanilino)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 557.61 |
| Molecular Formula: | C29 H31 N7 O5 |
| Smiles: | CCOC(C1C(c2ccccc2)NC(N(C)C=1Cn1c2C(N(C)C(N(C)c2nc1Nc1ccc(C)cc1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.28 |
| logD: | 4.2778 |
| logSw: | -4.1081 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.076 |
| InChI Key: | HGDNBMQVYPWAMG-JOCHJYFZSA-N |