methyl 4-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzoate
methyl 4-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | E942-0319 |
| Compound Name: | methyl 4-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzoate |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0466 |
| logD: | 4.0129 |
| logSw: | -4.3022 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.912 |
| InChI Key: | BQRZWVUEMAWSQG-UHFFFAOYSA-N |