N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-nitrobenzamide
N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V025-6697 |
| Compound Name: | N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-nitrobenzamide |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C28 H36 N6 O3 |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1c(C)nn(c2ccccc2)c1N1CCN(CC)CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8231 |
| logD: | 2.7545 |
| logSw: | -4.6056 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.372 |
| InChI Key: | KEVGTAADHZBNLT-NRFANRHFSA-N |