N-{[4-(methylsulfanyl)phenyl]methyl}-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | M575-0682 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C21 H24 N2 O2 S |
| Smiles: | CC(C)N1C(C(NCc2ccc(cc2)SC)=O)c2ccccc2CC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4586 |
| logD: | 3.4586 |
| logSw: | -3.6551 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.606 |
| InChI Key: | ZJCMXYMAMZIUGM-HXUWFJFHSA-N |