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-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C258-0729 |
| 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-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 508.42 |
| Molecular Formula: | C23 H23 Cl2 N3 O4 S |
| Smiles: | C1CCc2c(C1)c1C(N(C(N(CC(NCC3CCCO3)=O)c1s2)=O)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8347 |
| logD: | 3.8347 |
| logSw: | -4.6133 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.153 |
| InChI Key: | DMHOFYWOLWEXFI-CQSZACIVSA-N |