2-{[(6,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(6,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(6,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | G751-0870 |
| Compound Name: | 2-{[(6,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C23 H23 N3 O2 S2 |
| Smiles: | Cc1cc(C)c2c(c1)C(C=C(CSC1=Nc3c(C(N1C)=O)c1CCCCc1s3)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5317 |
| logD: | 4.5254 |
| logSw: | -4.4057 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.174 |
| InChI Key: | XZXLSAGDOBTVLS-UHFFFAOYSA-N |