N-({3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl}methyl)-4-nitro-N-propylbenzamide
Chemical Structure Depiction of
N-({3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl}methyl)-4-nitro-N-propylbenzamide
N-({3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl}methyl)-4-nitro-N-propylbenzamide
Compound characteristics
| Compound ID: | V015-3945 |
| Compound Name: | N-({3-ethyl-1-(4-fluorophenyl)-5-[4-(propan-2-yl)piperazin-1-yl]-1H-pyrazol-4-yl}methyl)-4-nitro-N-propylbenzamide |
| Molecular Weight: | 536.65 |
| Molecular Formula: | C29 H37 F N6 O3 |
| Salt: | not_available |
| Smiles: | CCCN(Cc1c(CC)nn(c2ccc(cc2)F)c1N1CCN(CC1)C(C)C)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3845 |
| logD: | 2.9555 |
| logSw: | -5.4165 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.038 |
| InChI Key: | VFERPVMTHHBHEV-UHFFFAOYSA-N |