methyl 2-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 2-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzoate
methyl 2-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | E942-0046 |
| Compound Name: | methyl 2-{[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(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6814 |
| logD: | 3.5985 |
| logSw: | -4.0713 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.214 |
| InChI Key: | DAACNOAOIOSMIP-UHFFFAOYSA-N |