2-(4-methylphenyl)-6-[4-(2,4,5-trimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(4-methylphenyl)-6-[4-(2,4,5-trimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
2-(4-methylphenyl)-6-[4-(2,4,5-trimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F976-0481 |
| Compound Name: | 2-(4-methylphenyl)-6-[4-(2,4,5-trimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | Cc1ccc(cc1)N1C(C=CC(=N1)N1CCCN(CC1)S(c1cc(C)c(C)cc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5277 |
| logD: | 4.5277 |
| logSw: | -4.2532 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.555 |
| InChI Key: | BRRNIOBMCSSQJF-UHFFFAOYSA-N |