3,7-dimethyl-2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3,7-dimethyl-2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3,7-dimethyl-2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8015-2448 |
| Compound Name: | 3,7-dimethyl-2-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C21 H20 N4 O2 S2 |
| Smiles: | CC1CCc2c3C(N(C)C(=Nc3sc2C1)SCc1nc(c2ccccc2)no1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1228 |
| logD: | 5.1228 |
| logSw: | -5.1149 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.974 |
| InChI Key: | PHYXDUXJMYLYKB-GFCCVEGCSA-N |