N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)-3-nitrobenzamide
N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V024-1003 |
| Compound Name: | N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)-3-nitrobenzamide |
| Molecular Weight: | 490.61 |
| Molecular Formula: | C27 H34 N6 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CN(Cc1c(C)nn(c2ccccc2)c1N1CCN(C)CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1818 |
| logD: | 2.2654 |
| logSw: | -4.3759 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.984 |
| InChI Key: | GIXUJUAYDYXETH-UHFFFAOYSA-N |