9-(benzyloxy)-4-{[4-(2-fluorophenyl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
Chemical Structure Depiction of
9-(benzyloxy)-4-{[4-(2-fluorophenyl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
9-(benzyloxy)-4-{[4-(2-fluorophenyl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | 5682-0114 |
| Compound Name: | 9-(benzyloxy)-4-{[4-(2-fluorophenyl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one |
| Molecular Weight: | 527.6 |
| Molecular Formula: | C31 H30 F N3 O4 |
| Smiles: | C1CC2=C(C(=O)Oc3ccc(cc23)OCc2ccccc2)N(C1)C(CN1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.541 |
| logD: | 4.5393 |
| logSw: | -4.55 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.37 |
| InChI Key: | XCUDOMQIYOPTGX-UHFFFAOYSA-N |