methyl 4-[(2-cyclopropyl-1-oxo-1,2-dihydroisoquinoline-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(2-cyclopropyl-1-oxo-1,2-dihydroisoquinoline-4-carbonyl)amino]benzoate
methyl 4-[(2-cyclopropyl-1-oxo-1,2-dihydroisoquinoline-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | Y042-5300 |
| Compound Name: | methyl 4-[(2-cyclopropyl-1-oxo-1,2-dihydroisoquinoline-4-carbonyl)amino]benzoate |
| Molecular Weight: | 362.38 |
| Molecular Formula: | C21 H18 N2 O4 |
| Smiles: | COC(c1ccc(cc1)NC(C1=CN(C2CC2)C(c2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9874 |
| logD: | 2.9131 |
| logSw: | -3.6736 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.184 |
| InChI Key: | GFUHIHZONAUTIM-UHFFFAOYSA-N |