6-[3-(azepane-1-sulfonyl)-4-methoxyphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridazin-3(2H)-one
Chemical Structure Depiction of
6-[3-(azepane-1-sulfonyl)-4-methoxyphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridazin-3(2H)-one
6-[3-(azepane-1-sulfonyl)-4-methoxyphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F946-0454 |
| Compound Name: | 6-[3-(azepane-1-sulfonyl)-4-methoxyphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridazin-3(2H)-one |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C22 H26 N4 O5 S |
| Smiles: | Cc1c(c(C)on1)N1C(C=CC(c2ccc(c(c2)S(N2CCCCCC2)(=O)=O)OC)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9465 |
| logD: | 2.9465 |
| logSw: | -3.3469 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.237 |
| InChI Key: | PGDGSCCPBQBXPP-UHFFFAOYSA-N |