6-[3-(azepane-1-sulfonyl)-4-methylphenyl]-3-methyl[1,2,4]triazolo[4,3-b]pyridazine
Chemical Structure Depiction of
6-[3-(azepane-1-sulfonyl)-4-methylphenyl]-3-methyl[1,2,4]triazolo[4,3-b]pyridazine
6-[3-(azepane-1-sulfonyl)-4-methylphenyl]-3-methyl[1,2,4]triazolo[4,3-b]pyridazine
Compound characteristics
| Compound ID: | J003-0189 |
| Compound Name: | 6-[3-(azepane-1-sulfonyl)-4-methylphenyl]-3-methyl[1,2,4]triazolo[4,3-b]pyridazine |
| Molecular Weight: | 385.49 |
| Molecular Formula: | C19 H23 N5 O2 S |
| Smiles: | Cc1ccc(cc1S(N1CCCCCC1)(=O)=O)c1ccc2nnc(C)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7793 |
| logD: | 2.7793 |
| logSw: | -3.0204 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.216 |
| InChI Key: | XOEPKPWCYOOEAL-UHFFFAOYSA-N |