ethyl 3-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzoate
Chemical Structure Depiction of
ethyl 3-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzoate
ethyl 3-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | E942-0171 |
| Compound Name: | ethyl 3-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzoate |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C23 H25 N3 O4 |
| Smiles: | CCOC(c1cccc(c1)NC(NC1=CN(CC(C)C)C(c2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7379 |
| logD: | 4.6927 |
| logSw: | -4.4282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.492 |
| InChI Key: | YBJCALSLGGBUJB-UHFFFAOYSA-N |