2-(3,4-dimethylphenyl)-6-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-6-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
2-(3,4-dimethylphenyl)-6-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F976-0194 |
| Compound Name: | 2-(3,4-dimethylphenyl)-6-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Smiles: | Cc1ccc(cc1C)N1C(C=CC(=N1)N1CCCN(CC1)S(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8916 |
| logD: | 3.8916 |
| logSw: | -4.0954 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.098 |
| InChI Key: | NXBUBSFLWAUEAR-UHFFFAOYSA-N |