1-[1-phenyl-7-{[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-phenyl-7-{[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
1-[1-phenyl-7-{[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V025-9194 |
| Compound Name: | 1-[1-phenyl-7-{[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | CC(N1CCc2ccc(cc2C1c1ccccc1)OCc1nc(cs1)C(N1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3594 |
| logD: | 4.3594 |
| logSw: | -4.3375 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.343 |
| InChI Key: | HEMKUTNZEVCBLR-VWLOTQADSA-N |