ethyl 2-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G856-8464 |
| Compound Name: | ethyl 2-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C19 H21 N5 O5 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1nc2C(N(C)C(N(C)c2n1C)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3508 |
| logD: | 2.3378 |
| logSw: | -2.9877 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.245 |
| InChI Key: | XPKQZJHTGBPHCJ-UHFFFAOYSA-N |