methyl 2-(2-methyl-3-phenylprop-2-enamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-(2-methyl-3-phenylprop-2-enamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-(2-methyl-3-phenylprop-2-enamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0087 |
| Compound Name: | methyl 2-(2-methyl-3-phenylprop-2-enamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 362.38 |
| Molecular Formula: | C21 H18 N2 O4 |
| Smiles: | C/C(=C\c1ccccc1)C(NN1C=C(C(=O)OC)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7023 |
| logD: | 2.7005 |
| logSw: | -3.3992 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.235 |
| InChI Key: | VURMAMDBJHPUDO-WYMLVPIESA-N |