2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-8625 |
| Compound Name: | 2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 334.3 |
| Molecular Formula: | C17 H13 F3 N2 O2 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)C(F)(F)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6342 |
| logD: | 2.6342 |
| logSw: | -3.2328 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.602 |
| InChI Key: | XKYXFKAQXPAKJO-CQSZACIVSA-N |