5-oxo-2-(1H-pyrrol-1-yl)-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
5-oxo-2-(1H-pyrrol-1-yl)-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
5-oxo-2-(1H-pyrrol-1-yl)-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-8002 |
| Compound Name: | 5-oxo-2-(1H-pyrrol-1-yl)-4-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 384.36 |
| Molecular Formula: | C21 H15 F3 N2 O2 |
| Smiles: | C1CC2=C(C(C(C#N)=C(n3cccc3)O2)c2ccc(cc2)C(F)(F)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2568 |
| logD: | 4.2568 |
| logSw: | -4.5909 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.385 |
| InChI Key: | RASBYVAWECNCEF-GOSISDBHSA-N |