1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | C683-0521 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 483.56 |
| Molecular Formula: | C28 H22 F N3 O2 S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1c2Cc3ccccc3Oc2nc(c2ccc(cc2)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1344 |
| logD: | 7.1314 |
| logSw: | -6.1582 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.188 |
| InChI Key: | NYAJPNUMCNANTH-UHFFFAOYSA-N |