1-(3,4-dihydroquinolin-1(2H)-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | C592-2726 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C25 H25 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccccc1)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.148 |
| logD: | 4.148 |
| logSw: | -4.1978 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.643 |
| InChI Key: | LQFOXHUBETUVLT-UHFFFAOYSA-N |