2-amino-4-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
2-amino-4-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Compound characteristics
| Compound ID: | Y508-8243 |
| Compound Name: | 2-amino-4-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C27 H23 F N4 O2 |
| Smiles: | COc1cc(ccc1OCc1cccc(c1)F)C1C2CCCC=C2C(C#N)=C(C1(C#N)C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4613 |
| logD: | 4.4611 |
| logSw: | -4.7014 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.3 |
| InChI Key: | JYHVMBPVCLDVEK-UHFFFAOYSA-N |