N-{5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(4-methylphenyl)sulfanyl]phenyl}acetamide
Chemical Structure Depiction of
N-{5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(4-methylphenyl)sulfanyl]phenyl}acetamide
N-{5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(4-methylphenyl)sulfanyl]phenyl}acetamide
Compound characteristics
| Compound ID: | K786-2203 |
| Compound Name: | N-{5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(4-methylphenyl)sulfanyl]phenyl}acetamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C25 H24 N2 O2 S |
| Smiles: | CC(Nc1cc(ccc1Sc1ccc(C)cc1)C(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6247 |
| logD: | 4.6247 |
| logSw: | -4.2669 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.841 |
| InChI Key: | YHMLSAMVWWWQDY-UHFFFAOYSA-N |