2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)ethan-1-one
2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-5347 |
| Compound Name: | 2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C24 H25 N3 O2 S |
| Smiles: | CC1=CC(C)(C)N(C(CSc2nnc(c3ccc(C)cc3)o2)=O)c2ccc(C)cc12 |
| Stereo: | ACHIRAL |
| logP: | 5.3859 |
| logD: | 5.3859 |
| logSw: | -5.3209 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.894 |
| InChI Key: | KMMTWJGUORRPNA-UHFFFAOYSA-N |