9-(benzyloxy)-4-{[4-(4-nitrophenyl)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-(4-nitrophenyl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
9-(benzyloxy)-4-{[4-(4-nitrophenyl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | C285-0062 |
| Compound Name: | 9-(benzyloxy)-4-{[4-(4-nitrophenyl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one |
| Molecular Weight: | 554.6 |
| Molecular Formula: | C31 H30 N4 O6 |
| Smiles: | C1CC2=C(C(=O)Oc3ccc(cc23)OCc2ccccc2)N(C1)C(CN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4097 |
| logD: | 4.408 |
| logSw: | -4.4907 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.053 |
| InChI Key: | DJUMBUGAUUCYKT-UHFFFAOYSA-N |