1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G878-0090 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C28 H25 N5 O2 S |
| Smiles: | COc1ccc(cc1)n1c(c2c[nH]c3ccccc23)nnc1SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3343 |
| logD: | 5.3343 |
| logSw: | -5.4171 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.184 |
| InChI Key: | VVZQNUCBKZYQMK-UHFFFAOYSA-N |