N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)-3-nitrobenzamide
N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V015-4661 |
| Compound Name: | N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)-3-nitrobenzamide |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C28 H36 N6 O3 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(CC(C)C)C(c2cccc(c2)[N+]([O-])=O)=O)c(C)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5266 |
| logD: | 2.4579 |
| logSw: | -4.2567 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.044 |
| InChI Key: | RNEKJDJKYQBTMW-UHFFFAOYSA-N |