2-[(benzylsulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-[(benzylsulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one
2-[(benzylsulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0698 |
| Compound Name: | 2-[(benzylsulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 309.43 |
| Molecular Formula: | C19 H19 N O S |
| Smiles: | Cc1ccc2C(C=C(CSCc3ccccc3)Nc2c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7059 |
| logD: | 4.6588 |
| logSw: | -4.4695 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.5095 |
| InChI Key: | LFNFDBSPDSCNCC-UHFFFAOYSA-N |