methyl 1-[4-(propan-2-yl)anilino]isoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-[4-(propan-2-yl)anilino]isoquinoline-4-carboxylate
methyl 1-[4-(propan-2-yl)anilino]isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0084 |
| Compound Name: | methyl 1-[4-(propan-2-yl)anilino]isoquinoline-4-carboxylate |
| Molecular Weight: | 320.39 |
| Molecular Formula: | C20 H20 N2 O2 |
| Smiles: | CC(C)c1ccc(cc1)Nc1c2ccccc2c(cn1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.1727 |
| logD: | 5.1725 |
| logSw: | -5.1991 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.83 |
| InChI Key: | ZGPAKEBNLQLHNA-UHFFFAOYSA-N |