2-amino-4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Chemical Structure Depiction of
2-amino-4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
2-amino-4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Compound characteristics
| Compound ID: | Y508-9721 |
| Compound Name: | 2-amino-4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile |
| Molecular Weight: | 470.96 |
| Molecular Formula: | C27 H23 Cl N4 O2 |
| Smiles: | COc1ccc(cc1COc1ccccc1[Cl])C1C2CCCC=C2C(C#N)=C(C1(C#N)C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8641 |
| logD: | 4.8639 |
| logSw: | -5.0986 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.3 |
| InChI Key: | KEQMUOXTPUGDRA-UHFFFAOYSA-N |