ethyl 3-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-3-(4-methoxyphenyl)propanoate
Chemical Structure Depiction of
ethyl 3-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-3-(4-methoxyphenyl)propanoate
ethyl 3-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-3-(4-methoxyphenyl)propanoate
Compound characteristics
| Compound ID: | 8015-2869 |
| Compound Name: | ethyl 3-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-3-(4-methoxyphenyl)propanoate |
| Molecular Weight: | 579.68 |
| Molecular Formula: | C29 H33 N5 O6 S |
| Smiles: | CCOC(CC(c1ccc(cc1)OC)NC(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4829 |
| logD: | 4.4829 |
| logSw: | -4.178 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.819 |
| InChI Key: | ZJILGJSIAZTAJW-QFIPXVFZSA-N |