3,3-dimethyl-8-(2-methylpropyl)-6-[4-(4-nitrobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Chemical Structure Depiction of
3,3-dimethyl-8-(2-methylpropyl)-6-[4-(4-nitrobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
3,3-dimethyl-8-(2-methylpropyl)-6-[4-(4-nitrobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Compound characteristics
| Compound ID: | 8640-0557 |
| Compound Name: | 3,3-dimethyl-8-(2-methylpropyl)-6-[4-(4-nitrobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C26 H31 N5 O4 |
| Smiles: | CC(C)Cc1c2COC(C)(C)Cc2c(C#N)c(n1)N1CCN(CC1)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8451 |
| logD: | 4.845 |
| logSw: | -4.8526 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.017 |
| InChI Key: | TXRUECUQLYVSBR-UHFFFAOYSA-N |