4-(3,5-dimethylpiperidine-1-carbonyl)-2-(2-methoxyethyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(3,5-dimethylpiperidine-1-carbonyl)-2-(2-methoxyethyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-(3,5-dimethylpiperidine-1-carbonyl)-2-(2-methoxyethyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0416 |
| Compound Name: | 4-(3,5-dimethylpiperidine-1-carbonyl)-2-(2-methoxyethyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C24 H30 N2 O3 S |
| Smiles: | CC1CC(C)CN(C1)C(C1C(c2cccs2)N(CCOC)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6648 |
| logD: | 3.6648 |
| logSw: | -3.84 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.777 |
| InChI Key: | ULBHREPXTWSBAM-UHFFFAOYSA-N |