1-(3,4-dihydroquinolin-1(2H)-yl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | C592-2827 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C27 H29 N5 O S |
| Smiles: | Cc1cccc(c1C)n1c(Cc2cccn2C)nnc1SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1387 |
| logD: | 5.1381 |
| logSw: | -4.9554 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.342 |
| InChI Key: | RQOJLULZORILTI-UHFFFAOYSA-N |