N-(2-cyanoethyl)-2-(4-methoxyphenyl)-1-oxo-N-phenyl-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-2-(4-methoxyphenyl)-1-oxo-N-phenyl-1,2-dihydroisoquinoline-4-carboxamide
N-(2-cyanoethyl)-2-(4-methoxyphenyl)-1-oxo-N-phenyl-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1582 |
| Compound Name: | N-(2-cyanoethyl)-2-(4-methoxyphenyl)-1-oxo-N-phenyl-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C26 H21 N3 O3 |
| Smiles: | COc1ccc(cc1)N1C=C(C(N(CCC#N)c2ccccc2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.0007 |
| logD: | 3.0007 |
| logSw: | -3.4986 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.391 |
| InChI Key: | XSXDQEXKJOVOQW-UHFFFAOYSA-N |