N-[3-(methylsulfanyl)phenyl]-2-[1-(piperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[1-(piperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[1-(piperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | P099-0448 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[1-(piperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamide |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C24 H29 N3 O2 S |
| Smiles: | CSc1cccc(c1)NC(CN1CCc2ccccc2C1C(N1CCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9866 |
| logD: | 3.9863 |
| logSw: | -4.031 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.181 |
| InChI Key: | KHSVVXNVNMBYLP-HSZRJFAPSA-N |