5-(azepan-1-yl)-7-chloro-3-(4-ethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
Chemical Structure Depiction of
5-(azepan-1-yl)-7-chloro-3-(4-ethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
5-(azepan-1-yl)-7-chloro-3-(4-ethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline
Compound characteristics
| Compound ID: | C718-1367 |
| Compound Name: | 5-(azepan-1-yl)-7-chloro-3-(4-ethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazoline |
| Molecular Weight: | 469.99 |
| Molecular Formula: | C23 H24 Cl N5 O2 S |
| Smiles: | CCc1ccc(cc1)S(c1c2nc(c3cc(ccc3n2nn1)[Cl])N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4342 |
| logD: | 6.4342 |
| logSw: | -6.3508 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.459 |
| InChI Key: | XRSAUQJUDVUWBJ-UHFFFAOYSA-N |