2-(3,4-dimethylphenyl)-6-[4-(4-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-6-[4-(4-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
2-(3,4-dimethylphenyl)-6-[4-(4-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F976-0226 |
| Compound Name: | 2-(3,4-dimethylphenyl)-6-[4-(4-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1CCCN(CC1)C1C=CC(N(c2ccc(C)c(C)c2)N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8399 |
| logD: | 4.8399 |
| logSw: | -4.6194 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.555 |
| InChI Key: | YRABHHXLXNBVDD-UHFFFAOYSA-N |