N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)-3-nitrobenzamide
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V028-7776 |
| Compound Name: | N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)-3-nitrobenzamide |
| Molecular Weight: | 522.62 |
| Molecular Formula: | C28 H35 F N6 O3 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(CC(C)C)C(c2cccc(c2)[N+]([O-])=O)=O)c(C)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 4.7186 |
| logD: | 2.6499 |
| logSw: | -4.5229 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.044 |
| InChI Key: | DELSZTWEFSQRBE-UHFFFAOYSA-N |