2-(2-methoxyethyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Chemical Structure Depiction of
2-(2-methoxyethyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
2-(2-methoxyethyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | M575-1330 |
| Compound Name: | 2-(2-methoxyethyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | COCCN1C(C(NCc2ccc(cc2)SC)=O)c2ccccc2CC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7618 |
| logD: | 2.7618 |
| logSw: | -3.0866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.206 |
| InChI Key: | UHGAOMOUZZLLET-HXUWFJFHSA-N |