2-(3,4-dimethylphenyl)-6-{4-[4-(2-methylpropyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-6-{4-[4-(2-methylpropyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one
2-(3,4-dimethylphenyl)-6-{4-[4-(2-methylpropyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F976-0225 |
| Compound Name: | 2-(3,4-dimethylphenyl)-6-{4-[4-(2-methylpropyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C27 H34 N4 O3 S |
| Smiles: | CC(C)Cc1ccc(cc1)S(N1CCCN(CC1)C1C=CC(N(c2ccc(C)c(C)c2)N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5897 |
| logD: | 5.5896 |
| logSw: | -5.2916 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.555 |
| InChI Key: | AJSLFEQTENOBLC-UHFFFAOYSA-N |