1-(3,4-dihydroquinolin-1(2H)-yl)-2-({4-(2-methoxyethyl)-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-methoxyethyl)-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-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | C592-3965 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C22 H27 N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCOC)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8847 |
| logD: | 2.8847 |
| logSw: | -3.3369 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.493 |
| InChI Key: | PBGATLUVDGFTKP-UHFFFAOYSA-N |