1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 4477-1861 |
| Compound Name: | 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 426.97 |
| Molecular Formula: | C22 H23 Cl N4 O S |
| Smiles: | CC1(CC(C)(C)N(C(CSc2nnc[nH]2)=O)c2ccccc12)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9369 |
| logD: | 3.5824 |
| logSw: | -4.4528 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.95 |
| InChI Key: | UJRULAJRVQBIQM-QFIPXVFZSA-N |