2-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Chemical Structure Depiction of
2-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
2-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | P368-0224 |
| Compound Name: | 2-acetyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C20 H22 N2 O2 S |
| Smiles: | [H]c1cccc2C(C(NCc3ccc(cc3)SC)=O)N(CCc12)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9516 |
| logD: | 2.9516 |
| logSw: | -3.2497 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.286 |
| InChI Key: | QOHOKQFTCBZMLA-LJQANCHMSA-N |