9-(benzyloxy)-4-{[4-(pyrimidin-2-yl)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-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
9-(benzyloxy)-4-{[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | C285-0122 |
| Compound Name: | 9-(benzyloxy)-4-{[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one |
| Molecular Weight: | 511.58 |
| Molecular Formula: | C29 H29 N5 O4 |
| Smiles: | C1CC2=C(C(=O)Oc3ccc(cc23)OCc2ccccc2)N(C1)C(CN1CCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5271 |
| logD: | 3.5255 |
| logSw: | -3.7179 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.034 |
| InChI Key: | WCQZVNHCEARBPX-UHFFFAOYSA-N |