N-(3-methylbutyl)-N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-(3-methylbutyl)-N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-3-nitrobenzamide
N-(3-methylbutyl)-N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V024-0465 |
| Compound Name: | N-(3-methylbutyl)-N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-3-nitrobenzamide |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C28 H36 N6 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CCN(Cc1c(C)nn(c2ccccc2)c1N1CCN(C)CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5753 |
| logD: | 2.6589 |
| logSw: | -4.4411 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.962 |
| InChI Key: | WFYBJVLZNYFLAT-UHFFFAOYSA-N |