ethyl (2-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-1,3-thiazol-4-yl)acetate
Chemical Structure Depiction of
ethyl (2-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-1,3-thiazol-4-yl)acetate
ethyl (2-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-1,3-thiazol-4-yl)acetate
Compound characteristics
| Compound ID: | Y042-5273 |
| Compound Name: | ethyl (2-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-1,3-thiazol-4-yl)acetate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | CCOC(Cc1csc(NC(C2=CN(CC(C)C)C(c3ccccc23)=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3857 |
| logD: | 2.674 |
| logSw: | -3.8542 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.263 |
| InChI Key: | DCEXJGOBMOBWNN-UHFFFAOYSA-N |