N-{4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,3-thiazol-2-yl}-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-{4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,3-thiazol-2-yl}-2,2-dimethylpropanamide
N-{4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,3-thiazol-2-yl}-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | F186-1271 |
| Compound Name: | N-{4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,3-thiazol-2-yl}-2,2-dimethylpropanamide |
| Molecular Weight: | 357.47 |
| Molecular Formula: | C19 H23 N3 O2 S |
| Smiles: | CC(C)(C)C(Nc1nc(CC(N2CCc3ccccc3C2)=O)cs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5968 |
| logD: | 3.5897 |
| logSw: | -3.6657 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.926 |
| InChI Key: | RTHWKTAGODVGEG-UHFFFAOYSA-N |