N-{[4-(methylsulfanyl)phenyl]methyl}-2-[1-(piperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[1-(piperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[1-(piperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | P099-0613 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-[1-(piperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamide |
| Molecular Weight: | 437.6 |
| Molecular Formula: | C25 H31 N3 O2 S |
| Smiles: | CSc1ccc(CNC(CN2CCc3ccccc3C2C(N2CCCCC2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8227 |
| logD: | 3.8225 |
| logSw: | -3.8012 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.503 |
| InChI Key: | RYIIRIQUKCMZPK-XMMPIXPASA-N |