ethyl N-[({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetyl]phenylalaninate
Chemical Structure Depiction of
ethyl N-[({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetyl]phenylalaninate
ethyl N-[({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetyl]phenylalaninate
Compound characteristics
| Compound ID: | 8014-1196 |
| Compound Name: | ethyl N-[({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetyl]phenylalaninate |
| Molecular Weight: | 570.07 |
| Molecular Formula: | C27 H28 Cl N5 O5 S |
| Smiles: | CCOC(C(Cc1ccccc1)NC(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3944 |
| logD: | 4.3944 |
| logSw: | -4.5646 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.87 |
| InChI Key: | IGTKENAPLZEUSY-FQEVSTJZSA-N |