2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-cyclohexyl-N-methylacetamide
Chemical Structure Depiction of
2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-cyclohexyl-N-methylacetamide
2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-cyclohexyl-N-methylacetamide
Compound characteristics
| Compound ID: | C258-0693 |
| Compound Name: | 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-cyclohexyl-N-methylacetamide |
| Molecular Weight: | 486.03 |
| Molecular Formula: | C25 H28 Cl N3 O3 S |
| Smiles: | CN(C1CCCCC1)C(CN1C(N(C(c2c3CCCCc3sc12)=O)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7876 |
| logD: | 4.7876 |
| logSw: | -5.0265 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.974 |
| InChI Key: | PXBYNVXWCOWCDM-UHFFFAOYSA-N |