3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 2857-2066 |
| Compound Name: | 3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 537.14 |
| Molecular Formula: | C29 H29 Cl N2 O2 S2 |
| Smiles: | CC(C)(C)C1CCc2c3C(N(Cc4ccccc4)C(=Nc3sc2C1)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.775 |
| logD: | 7.775 |
| logSw: | -6.5059 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.841 |
| InChI Key: | WYRBBOPWSABRIZ-HXUWFJFHSA-N |