ethyl 3-[2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-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-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-3-(4-methoxyphenyl)propanoate
ethyl 3-[2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-3-(4-methoxyphenyl)propanoate
Compound characteristics
| Compound ID: | 8013-2182 |
| Compound Name: | ethyl 3-[2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-3-(4-methoxyphenyl)propanoate |
| Molecular Weight: | 600.09 |
| Molecular Formula: | C28 H30 Cl N5 O6 S |
| Smiles: | CCOC(CC(c1ccc(cc1)OC)NC(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6811 |
| logD: | 4.6811 |
| logSw: | -4.8835 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.819 |
| InChI Key: | MZGWZSFVDNONQN-NRFANRHFSA-N |