methyl 3-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}thiophene-2-carboxylate
methyl 3-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E942-0249 |
| Compound Name: | methyl 3-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}thiophene-2-carboxylate |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(Nc1ccsc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3752 |
| logD: | 3.2914 |
| logSw: | -3.7795 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.233 |
| InChI Key: | ASQSHWWSQSTYKZ-UHFFFAOYSA-N |