2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0028 |
| Compound Name: | 2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C18 H16 N6 O3 S2 |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2ccsc2C1=O)SCC(Nc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3931 |
| logD: | 1.3786 |
| logSw: | -2.3869 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.288 |
| InChI Key: | CWPIZBJTIQVZQJ-UHFFFAOYSA-N |