2-(4-chlorophenyl)-N-(3-cyanophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-(3-cyanophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
2-(4-chlorophenyl)-N-(3-cyanophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1554 |
| Compound Name: | 2-(4-chlorophenyl)-N-(3-cyanophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C25 H20 Cl N3 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(Nc2cccc(C#N)c2)=O)=O)c2ccc(cc2)[Cl])C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7131 |
| logD: | 3.1957 |
| logSw: | -4.3147 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.342 |
| InChI Key: | OPQIUGCMZPTGSD-UHFFFAOYSA-N |