6-{4-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-1,4-diazepan-1-yl}-2-(3,4-dimethylphenyl)pyridazin-3(2H)-one
Chemical Structure Depiction of
6-{4-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-1,4-diazepan-1-yl}-2-(3,4-dimethylphenyl)pyridazin-3(2H)-one
6-{4-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-1,4-diazepan-1-yl}-2-(3,4-dimethylphenyl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F976-0231 |
| Compound Name: | 6-{4-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-1,4-diazepan-1-yl}-2-(3,4-dimethylphenyl)pyridazin-3(2H)-one |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C22 H26 F2 N6 O3 S |
| Smiles: | Cc1ccc(cc1C)N1C(C=CC(=N1)N1CCCN(CC1)S(c1cnn(C(F)F)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4337 |
| logD: | 2.4337 |
| logSw: | -2.6689 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.141 |
| InChI Key: | YGFRTKJDHQCNIA-UHFFFAOYSA-N |