7-tert-butyl-3-phenyl-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-tert-butyl-3-phenyl-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
7-tert-butyl-3-phenyl-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 4052-2627 |
| Compound Name: | 7-tert-butyl-3-phenyl-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 370.53 |
| Molecular Formula: | C20 H22 N2 O S2 |
| Smiles: | CC(C)(C)C1CCc2c3C(N(C(Nc3sc2C1)=S)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1824 |
| logD: | 4.5588 |
| logSw: | -5.096 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.5293 |
| InChI Key: | DIPMRWAVRJSLCY-GFCCVEGCSA-N |