2-ethoxy-N-{5-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
2-ethoxy-N-{5-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
2-ethoxy-N-{5-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | C301-8969 |
| Compound Name: | 2-ethoxy-N-{5-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C19 H19 N7 O4 S2 |
| Smiles: | CCOc1ccccc1C(Nc1nnc(Sc2nc3C(N(C)C(N(C)c3n2C)=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4733 |
| logD: | 2.9982 |
| logSw: | -3.8128 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.247 |
| InChI Key: | HMUYJOASLDBBMY-UHFFFAOYSA-N |