4-bromo-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-phenylpyridazin-3(2H)-one
Chemical Structure Depiction of
4-bromo-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-phenylpyridazin-3(2H)-one
4-bromo-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-phenylpyridazin-3(2H)-one
Compound characteristics
| Compound ID: | 3819-1310 |
| Compound Name: | 4-bromo-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-phenylpyridazin-3(2H)-one |
| Molecular Weight: | 524.3 |
| Molecular Formula: | C21 H17 Br F3 N5 O3 |
| Smiles: | C1CN(CCN1C1C=NN(C(C=1[Br])=O)c1ccccc1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.3188 |
| logD: | 4.3188 |
| logSw: | -4.5032 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.028 |
| InChI Key: | ZBPFXGKOHOKGFA-UHFFFAOYSA-N |