3-(4-ethylbenzene-1-sulfonyl)-5-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
3-(4-ethylbenzene-1-sulfonyl)-5-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
3-(4-ethylbenzene-1-sulfonyl)-5-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | E565-0963 |
| Compound Name: | 3-(4-ethylbenzene-1-sulfonyl)-5-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 501.63 |
| Molecular Formula: | C26 H23 N5 O2 S2 |
| Smiles: | CCc1ccc(cc1)S(c1c2nc(c3c(ccs3)n2nn1)N1CCC(=CC1)c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3375 |
| logD: | 6.3375 |
| logSw: | -5.7228 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.875 |
| InChI Key: | CNOAPMDMZOAGHI-UHFFFAOYSA-N |