2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Chemical Structure Depiction of
2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Compound characteristics
| Compound ID: | Y509-0840 |
| Compound Name: | 2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile |
| Molecular Weight: | 488.95 |
| Molecular Formula: | C27 H22 Cl F N4 O2 |
| Smiles: | COc1ccc(cc1COc1ccc(c(c1)[Cl])F)C1C2CCCC=C2C(C#N)=C(C1(C#N)C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0593 |
| logD: | 5.0591 |
| logSw: | -5.4998 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.213 |
| InChI Key: | KNUOFHQYPKIAQG-UHFFFAOYSA-N |