2-(3-methoxyphenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(3-methoxyphenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-(3-methoxyphenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-2346 |
| Compound Name: | 2-(3-methoxyphenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C26 H24 N2 O3 S |
| Smiles: | COc1cccc(c1)N1C=C(C(NCCc2ccc(cc2)SC)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.9433 |
| logD: | 3.9433 |
| logSw: | -4.1854 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.553 |
| InChI Key: | DOSJPMJVMALHMF-UHFFFAOYSA-N |