2-[2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-methoxyphenyl)acetamide
2-[2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C258-0606 |
| Compound Name: | 2-[2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | COc1ccc(cc1)NC(CN1C(N(CCc2ccccc2)C(c2c3CCCCc3sc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2992 |
| logD: | 5.2992 |
| logSw: | -5.2563 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.311 |
| InChI Key: | LQCVKEQIEWBUQH-UHFFFAOYSA-N |