2-(4-fluorophenyl)-6-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-6-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one
2-(4-fluorophenyl)-6-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F976-0133 |
| Compound Name: | 2-(4-fluorophenyl)-6-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one |
| Molecular Weight: | 496.48 |
| Molecular Formula: | C22 H20 F4 N4 O3 S |
| Smiles: | C1CN(CCN(C1)S(c1ccccc1C(F)(F)F)(=O)=O)C1C=CC(N(c2ccc(cc2)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5881 |
| logD: | 3.5881 |
| logSw: | -3.7929 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.555 |
| InChI Key: | RIQVKMNZHDCRJF-UHFFFAOYSA-N |