6-[3-(azepane-1-sulfonyl)-4,5-dimethylphenyl]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-[3-(azepane-1-sulfonyl)-4,5-dimethylphenyl]pyridazin-3(2H)-one
6-[3-(azepane-1-sulfonyl)-4,5-dimethylphenyl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | J001-0914 |
| Compound Name: | 6-[3-(azepane-1-sulfonyl)-4,5-dimethylphenyl]pyridazin-3(2H)-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | Cc1cc(cc(c1C)S(N1CCCCCC1)(=O)=O)C1C=CC(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5556 |
| logD: | 3.5553 |
| logSw: | -3.745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.418 |
| InChI Key: | NJWFCNJDERNQPC-UHFFFAOYSA-N |