N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-3-nitrobenzamide
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V015-5349 |
| Compound Name: | N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-3-nitrobenzamide |
| Molecular Weight: | 524.6 |
| Molecular Formula: | C27 H33 F N6 O4 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(CCOC)C(c2cccc(c2)[N+]([O-])=O)=O)c(C)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 3.3984 |
| logD: | 1.3297 |
| logSw: | -3.6899 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.365 |
| InChI Key: | WGDBSIUESQPWMV-UHFFFAOYSA-N |