5-(azepan-1-yl)-3-(4-ethylbenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
5-(azepan-1-yl)-3-(4-ethylbenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
5-(azepan-1-yl)-3-(4-ethylbenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | E565-0448 |
| Compound Name: | 5-(azepan-1-yl)-3-(4-ethylbenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C21 H23 N5 O2 S2 |
| Smiles: | CCc1ccc(cc1)S(c1c2nc(c3c(ccs3)n2nn1)N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5427 |
| logD: | 5.5427 |
| logSw: | -5.2991 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.478 |
| InChI Key: | XQEYXKDCLSVTFZ-UHFFFAOYSA-N |