2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(3,4-dimethylphenyl)acetamide
2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C258-0712 |
| Compound Name: | 2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 528.46 |
| Molecular Formula: | C26 H23 Cl2 N3 O3 S |
| Smiles: | Cc1ccc(cc1C)NC(CN1C(N(C(c2c3CCCCc3sc12)=O)c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7889 |
| logD: | 6.7889 |
| logSw: | -6.6594 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.177 |
| InChI Key: | ITIUHWGCOUEWQW-UHFFFAOYSA-N |