3-(3-methyl-4-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(3-methyl-4-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(3-methyl-4-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3697-0060 |
| Compound Name: | 3-(3-methyl-4-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 449.47 |
| Molecular Formula: | C23 H23 N5 O5 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)[N+]([O-])=O)N2CCN(C)CC2)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1179 |
| logD: | 3.1179 |
| logSw: | -3.3248 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.704 |
| InChI Key: | FHUJIDCYWFMICR-UHFFFAOYSA-N |