N-(3-cyanophenyl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(3-cyanophenyl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-2220 |
| Compound Name: | N-(3-cyanophenyl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 395.42 |
| Molecular Formula: | C24 H17 N3 O3 |
| Smiles: | COc1cccc(c1)N1C=C(C(Nc2cccc(C#N)c2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.5823 |
| logD: | 3.5723 |
| logSw: | -3.9071 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.446 |
| InChI Key: | VKXVYARPXHOLAL-UHFFFAOYSA-N |