2-{[(6-fluoro-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-fluoro-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-fluoro-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: | G751-2200 |
| Compound Name: | 2-{[(6-fluoro-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: | 427.52 |
| Molecular Formula: | C21 H18 F N3 O2 S2 |
| Smiles: | CN1C(=Nc2c(C1=O)c1CCCCc1s2)SCC1=CC(c2cc(ccc2N1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4213 |
| logD: | 4.2746 |
| logSw: | -4.4751 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.426 |
| InChI Key: | QAZXCWTZQIFELO-UHFFFAOYSA-N |