2-(3-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(3-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-(3-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-2227 |
| Compound Name: | 2-(3-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C24 H20 N2 O3 S |
| Smiles: | COc1cccc(c1)N1C=C(C(Nc2cccc(c2)SC)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.1822 |
| logD: | 4.182 |
| logSw: | -4.4803 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.389 |
| InChI Key: | IVQCDIRMRXBDIS-UHFFFAOYSA-N |