2-(3,4-dimethylphenyl)-3-imino-6,6-dimethyl-8-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-3-imino-6,6-dimethyl-8-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
2-(3,4-dimethylphenyl)-3-imino-6,6-dimethyl-8-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 6512-4091 |
| Compound Name: | 2-(3,4-dimethylphenyl)-3-imino-6,6-dimethyl-8-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C20 H21 N3 O |
| Smiles: | Cc1ccc(cc1C)N1C=C2C(CC(C)(C)CC2=O)=C(C#N)C1=N |
| Stereo: | ACHIRAL |
| logP: | 3.1731 |
| logD: | 2.0406 |
| logSw: | -3.198 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.946 |
| InChI Key: | SMRSFJKVBORPDG-UHFFFAOYSA-N |