2-amino-4-{5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Chemical Structure Depiction of
2-amino-4-{5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
2-amino-4-{5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Compound characteristics
| Compound ID: | Y509-3443 |
| Compound Name: | 2-amino-4-{5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile |
| Molecular Weight: | 483.01 |
| Molecular Formula: | C29 H27 Cl N4 O |
| Smiles: | Cc1cc(C)c(cc1COc1ccc(cc1C)[Cl])C1C2CCCC=C2C(C#N)=C(C1(C#N)C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9223 |
| logD: | 6.9221 |
| logSw: | -6.4264 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.669 |
| InChI Key: | FCYUMVYYYLEQEL-UHFFFAOYSA-N |