N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V028-7313 |
| Compound Name: | N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C27 H33 F N6 O3 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(C(C)C)C(c2cccc(c2)[N+]([O-])=O)=O)c(C)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 4.5114 |
| logD: | 2.4427 |
| logSw: | -4.2763 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.788 |
| InChI Key: | NOGAUOFAPMKEHZ-UHFFFAOYSA-N |