4-{[4-(4-nitrophenyl)piperazin-1-yl]acetyl}-9-propoxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
Chemical Structure Depiction of
4-{[4-(4-nitrophenyl)piperazin-1-yl]acetyl}-9-propoxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
4-{[4-(4-nitrophenyl)piperazin-1-yl]acetyl}-9-propoxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | C285-0081 |
| Compound Name: | 4-{[4-(4-nitrophenyl)piperazin-1-yl]acetyl}-9-propoxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C27 H30 N4 O6 |
| Smiles: | CCCOc1ccc2c(c1)C1CCCN(C=1C(=O)O2)C(CN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9547 |
| logD: | 3.9531 |
| logSw: | -3.9858 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.243 |
| InChI Key: | BXOCOQRWTJDWBQ-UHFFFAOYSA-N |