7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8015-0705 |
| Compound Name: | 7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 523.12 |
| Molecular Formula: | C28 H27 Cl N2 O2 S2 |
| Smiles: | CC(C)(C)C1CCc2c3C(N(C(=Nc3sc2C1)SCC(c1ccc(cc1)[Cl])=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.18 |
| logD: | 7.18 |
| logSw: | -6.4542 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.229 |
| InChI Key: | PLHPUFDHARIESB-GOSISDBHSA-N |