N-(5-chloro-2-methoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
N-(5-chloro-2-methoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C258-0604 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide |
| Molecular Weight: | 524.04 |
| Molecular Formula: | C27 H26 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1NC(CN1C(N(CCc2ccccc2)C(c2c3CCCCc3sc12)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5697 |
| logD: | 5.567 |
| logSw: | -5.9233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.699 |
| InChI Key: | WWMCEBMATUUMMY-UHFFFAOYSA-N |