3-benzyl-7-tert-butyl-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-benzyl-7-tert-butyl-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
3-benzyl-7-tert-butyl-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8010-3073 |
| Compound Name: | 3-benzyl-7-tert-butyl-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 384.56 |
| Molecular Formula: | C21 H24 N2 O S2 |
| Smiles: | CC(C)(C)C1CCc2c3C(N(Cc4ccccc4)C(Nc3sc2C1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7774 |
| logD: | 5.7 |
| logSw: | -5.5109 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.1408 |
| InChI Key: | UEAGJAYIKACJKS-CQSZACIVSA-N |