1-{4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}-3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-{4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}-3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propan-1-one
1-{4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}-3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | Y503-1807 |
| Compound Name: | 1-{4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}-3-(4-chloro-3-nitro-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 430.26 |
| Molecular Formula: | C17 H18 Cl2 F N5 O3 |
| Smiles: | C(Cn1cc(c(n1)[N+]([O-])=O)[Cl])C(N1CCN(CC1)Cc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3441 |
| logD: | 2.3403 |
| logSw: | -3.0602 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.746 |
| InChI Key: | SEKYMFZJQAPBQF-UHFFFAOYSA-N |