N-(4-methoxyphenyl)-2-{[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-{[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
N-(4-methoxyphenyl)-2-{[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-4925 |
| Compound Name: | N-(4-methoxyphenyl)-2-{[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 545.68 |
| Molecular Formula: | C28 H27 N5 O3 S2 |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc2N(CCc3ccccc3)C(c3c4CCCCc4sc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3332 |
| logD: | 5.3332 |
| logSw: | -5.2646 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.356 |
| InChI Key: | BCTOGEANWHVKQJ-UHFFFAOYSA-N |