2-phenyl-6-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one
Chemical Structure Depiction of
2-phenyl-6-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one
2-phenyl-6-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F976-0314 |
| Compound Name: | 2-phenyl-6-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one |
| Molecular Weight: | 478.49 |
| Molecular Formula: | C22 H21 F3 N4 O3 S |
| Smiles: | C1CN(CCN(C1)S(c1ccccc1C(F)(F)F)(=O)=O)C1C=CC(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4375 |
| logD: | 3.4375 |
| logSw: | -3.8261 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.555 |
| InChI Key: | ZHZAWQJHPKFUPC-UHFFFAOYSA-N |