8-methyl-1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Chemical Structure Depiction of
8-methyl-1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
8-methyl-1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}[1]benzopyrano[4,3-c]pyrazol-4(1H)-one
Compound characteristics
| Compound ID: | C618-0642 |
| Compound Name: | 8-methyl-1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}[1]benzopyrano[4,3-c]pyrazol-4(1H)-one |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C23 H21 N5 O5 |
| Smiles: | Cc1ccc2c(c1)c1c(cnn1CC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.8646 |
| logD: | 2.8646 |
| logSw: | -3.3322 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.493 |
| InChI Key: | PCZJKIDHPIPNDF-UHFFFAOYSA-N |