2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4469-0540 |
| Compound Name: | 2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 501.45 |
| Molecular Formula: | C24 H18 Cl2 N2 O2 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCC(c1ccc(c(c1)[Cl])[Cl])=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5472 |
| logD: | 6.5472 |
| logSw: | -6.5806 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.229 |
| InChI Key: | HKVXFZZAIDWUKC-UHFFFAOYSA-N |