2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(naphthalen-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(naphthalen-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(naphthalen-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8009-7506 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(naphthalen-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 517.07 |
| Molecular Formula: | C28 H21 Cl N2 O2 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCC(c1ccc(cc1)[Cl])=O)c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0008 |
| logD: | 7.0008 |
| logSw: | -6.9264 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.657 |
| InChI Key: | MSORBEHBYVZVEP-UHFFFAOYSA-N |