N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-3-nitro-N-propylbenzamide
Chemical Structure Depiction of
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-3-nitro-N-propylbenzamide
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-3-nitro-N-propylbenzamide
Compound characteristics
| Compound ID: | V025-3822 |
| Compound Name: | N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-3-nitro-N-propylbenzamide |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C27 H33 F N6 O3 |
| Salt: | not_available |
| Smiles: | CCCN(Cc1c(C)nn(c2cccc(c2)F)c1N1CCN(CC)CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2765 |
| logD: | 2.2078 |
| logSw: | -4.2688 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.022 |
| InChI Key: | GOZJQWQBWHADOD-UHFFFAOYSA-N |