N-[2-(azepan-1-yl)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methylbenzene-1-sulfonamide
N-[2-(azepan-1-yl)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | F946-0253 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methylbenzene-1-sulfonamide |
| Molecular Weight: | 522.07 |
| Molecular Formula: | C24 H31 N5 O4 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1S(NCCN1CCCCCC1)(=O)=O)C1C=CC(N(c2c(C)noc2C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4374 |
| logD: | 2.6771 |
| logSw: | -3.774 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.478 |
| InChI Key: | XSXRBRQBPAVIDY-UHFFFAOYSA-N |