N-({3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl}methyl)-N-(2-methylpropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-({3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl}methyl)-N-(2-methylpropyl)-3-nitrobenzamide
N-({3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl}methyl)-N-(2-methylpropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V020-3010 |
| Compound Name: | N-({3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl}methyl)-N-(2-methylpropyl)-3-nitrobenzamide |
| Molecular Weight: | 550.68 |
| Molecular Formula: | C30 H39 F N6 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(CN(CC(C)C)C(c2cccc(c2)[N+]([O-])=O)=O)c(N2CCN(CC2)C(C)C)n(c2ccc(cc2)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7627 |
| logD: | 3.3337 |
| logSw: | -5.5099 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.06 |
| InChI Key: | TVASXERHBKFNFO-UHFFFAOYSA-N |