N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-3-nitrobenzamide
N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V001-7261 |
| Compound Name: | N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-3-nitrobenzamide |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C27 H34 N6 O4 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(CCOC)C(c2cccc(c2)[N+]([O-])=O)=O)c(C)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2064 |
| logD: | 1.1377 |
| logSw: | -3.4359 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.365 |
| InChI Key: | KTCYTDQYRHVMKP-UHFFFAOYSA-N |