N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-3-nitrobenzamide
N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V006-8595 |
| Compound Name: | N-(butan-2-yl)-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-3-nitrobenzamide |
| Molecular Weight: | 522.62 |
| Molecular Formula: | C28 H35 F N6 O3 |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1c(C)nn(c2cccc(c2)F)c1N1CCN(CC)CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0151 |
| logD: | 2.9464 |
| logSw: | -4.7075 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.372 |
| InChI Key: | FGINDUAHZSYLOK-FQEVSTJZSA-N |