2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6715 |
| Compound Name: | 2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 470.45 |
| Molecular Formula: | C25 H21 F3 N2 O4 |
| Smiles: | COc1cc(ccc1OCc1cccc(c1)C(F)(F)F)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.764 |
| logD: | 3.764 |
| logSw: | -4.4088 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.547 |
| InChI Key: | FRWQPPFGOBETGW-JOCHJYFZSA-N |