N-(4-cyanophenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(4-cyanophenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-3988 |
| Compound Name: | N-(4-cyanophenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 303.32 |
| Molecular Formula: | C18 H13 N3 O2 |
| Smiles: | CN1C=C(C(Nc2ccc(C#N)cc2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.6192 |
| logD: | 1.3989 |
| logSw: | -2.3554 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.334 |
| InChI Key: | IQQVZZAOIJOVTD-UHFFFAOYSA-N |