2,7-diamino-4-[2-(trifluoromethyl)phenyl]-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2,7-diamino-4-[2-(trifluoromethyl)phenyl]-4H-1-benzopyran-3-carbonitrile
2,7-diamino-4-[2-(trifluoromethyl)phenyl]-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-5669 |
| Compound Name: | 2,7-diamino-4-[2-(trifluoromethyl)phenyl]-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 331.29 |
| Molecular Formula: | C17 H12 F3 N3 O |
| Smiles: | C(C1C(c2ccccc2C(F)(F)F)c2ccc(cc2OC=1N)N)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.749 |
| logD: | 2.7487 |
| logSw: | -3.4721 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 67.1 |
| InChI Key: | URVZMBFULIUAMP-HNNXBMFYSA-N |