7-tert-butyl-2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-tert-butyl-2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
7-tert-butyl-2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3379-1817 |
| Compound Name: | 7-tert-butyl-2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 559.58 |
| Molecular Formula: | C28 H28 Cl2 N2 O2 S2 |
| Smiles: | CC(C)(C)C1CCc2c3C(N(C(=Nc3sc2C1)SCc1ccc(c(c1)[Cl])[Cl])c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.4812 |
| logD: | 8.4812 |
| logSw: | -7.0072 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.526 |
| InChI Key: | DIEAKIPQJHPOBN-QGZVFWFLSA-N |