methyl 5-(2-methylpropyl)-2-[(1-oxo-1,2-dihydroisoquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-(2-methylpropyl)-2-[(1-oxo-1,2-dihydroisoquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
methyl 5-(2-methylpropyl)-2-[(1-oxo-1,2-dihydroisoquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y043-2572 |
| Compound Name: | methyl 5-(2-methylpropyl)-2-[(1-oxo-1,2-dihydroisoquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C19 H19 N3 O4 S |
| Smiles: | CC(C)Cc1c(C(=O)OC)nc(NC(C2=CNC(c3ccccc23)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5571 |
| logD: | 2.1106 |
| logSw: | -3.8848 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.815 |
| InChI Key: | KENJGHWDEIZRRN-UHFFFAOYSA-N |