N-(3-cyanophenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-(3-cyanophenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1332 |
| Compound Name: | N-(3-cyanophenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C25 H21 N3 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(Nc2cccc(C#N)c2)=O)=O)c2ccccc2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9968 |
| logD: | 2.4794 |
| logSw: | -3.5278 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.342 |
| InChI Key: | YGFADVWLUXAPKK-UHFFFAOYSA-N |