2-amino-4-(2,3-dimethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,1,3(4H)-tricarbonitrile
Chemical Structure Depiction of
2-amino-4-(2,3-dimethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,1,3(4H)-tricarbonitrile
2-amino-4-(2,3-dimethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,1,3(4H)-tricarbonitrile
Compound characteristics
| Compound ID: | Y508-0988 |
| Compound Name: | 2-amino-4-(2,3-dimethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,1,3(4H)-tricarbonitrile |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | COc1cccc(C2C3CCCC=C3C(C#N)(C#N)C(=C2C#N)N)c1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9167 |
| logD: | 2.9167 |
| logSw: | -3.1603 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.703 |
| InChI Key: | MZJHIEKSTKXZFN-UHFFFAOYSA-N |