1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[7-(4-ethoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[7-(4-ethoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[7-(4-ethoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | F595-0380 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[7-(4-ethoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)N1CCn2c1nnc2SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.141 |
| logD: | 4.1092 |
| logSw: | -3.9701 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.903 |
| InChI Key: | LVGUGIIPKQOYKG-UHFFFAOYSA-N |