2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-3430 |
| Compound Name: | 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C21 H21 N5 O S |
| Smiles: | CC1=CC(C)(C)N(C(CSc2nnnn2c2ccccc2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.1803 |
| logD: | 4.1803 |
| logSw: | -4.4084 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.719 |
| InChI Key: | KUWWCMYRZGCPKX-UHFFFAOYSA-N |