2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8016-2959 |
| Compound Name: | 2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 433.36 |
| Molecular Formula: | C20 H18 Cl2 N4 O S |
| Smiles: | Cn1c(c2ccc(cc2[Cl])[Cl])nnc1SCC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3873 |
| logD: | 4.3873 |
| logSw: | -4.6423 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.105 |
| InChI Key: | VPUHFCBSKHVEBV-UHFFFAOYSA-N |