ethyl (2-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}-1,3-thiazol-4-yl)acetate
Chemical Structure Depiction of
ethyl (2-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}-1,3-thiazol-4-yl)acetate
ethyl (2-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}-1,3-thiazol-4-yl)acetate
Compound characteristics
| Compound ID: | E942-0404 |
| Compound Name: | ethyl (2-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}-1,3-thiazol-4-yl)acetate |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C21 H24 N4 O4 S |
| Smiles: | CCOC(Cc1csc(NC(NC2=CN(CC(C)C)C(c3ccccc23)=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6977 |
| logD: | 3.6967 |
| logSw: | -4.0334 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.439 |
| InChI Key: | CBACJGMKNVHOOH-UHFFFAOYSA-N |