2-methyl-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-methyl-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-methyl-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-3998 |
| Compound Name: | 2-methyl-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 324.4 |
| Molecular Formula: | C18 H16 N2 O2 S |
| Smiles: | CN1C=C(C(Nc2cccc(c2)SC)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.4257 |
| logD: | 2.4232 |
| logSw: | -3.1606 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.278 |
| InChI Key: | DQUOSXFAGHQFEI-UHFFFAOYSA-N |