2-amino-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-8574 |
| Compound Name: | 2-amino-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 410.39 |
| Molecular Formula: | C23 H17 F3 N2 O2 |
| Smiles: | C1C(CC(C2C(C(C#N)=C(N)OC1=2)c1ccccc1C(F)(F)F)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.585 |
| logD: | 4.585 |
| logSw: | -4.7638 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.331 |
| InChI Key: | CTPSPPRQWWMDJS-UHFFFAOYSA-N |