3-(3-methylphenyl)-6-(propan-2-yl)-2-[(propan-2-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-(3-methylphenyl)-6-(propan-2-yl)-2-[(propan-2-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-(3-methylphenyl)-6-(propan-2-yl)-2-[(propan-2-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 8640-0457 |
| Compound Name: | 3-(3-methylphenyl)-6-(propan-2-yl)-2-[(propan-2-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 414.59 |
| Molecular Formula: | C22 H26 N2 O2 S2 |
| Smiles: | CC(C)C1Cc2c3C(N(C(=Nc3sc2CO1)SC(C)C)c1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8154 |
| logD: | 5.8154 |
| logSw: | -5.4815 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.606 |
| InChI Key: | WITQUQDACJEHSW-QGZVFWFLSA-N |