N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
Chemical Structure Depiction of
N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
Compound characteristics
| Compound ID: | K400-01950 |
| Compound Name: | N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide |
| Molecular Weight: | 565.62 |
| Molecular Formula: | C29 H26 F3 N5 O2 S |
| Smiles: | Cc1cccc(c1)C(NCc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(N1CCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2248 |
| logD: | 5.2247 |
| logSw: | -5.0571 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.431 |
| InChI Key: | DKERTGUBPVDJRC-UHFFFAOYSA-N |