2-amino-4-(2,4,5-trimethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Chemical Structure Depiction of
2-amino-4-(2,4,5-trimethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
2-amino-4-(2,4,5-trimethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8011-4452 |
| Compound Name: | 2-amino-4-(2,4,5-trimethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | COc1cc(c(cc1C1C2CCCC=C2C(C#N)=C(C1(C#N)C#N)N)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.537 |
| logD: | 2.5369 |
| logSw: | -2.7212 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.246 |
| InChI Key: | DRQUBIINDDFDTK-UHFFFAOYSA-N |