4-(5-bromo-2-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
4-(5-bromo-2-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
4-(5-bromo-2-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7996 |
| Compound Name: | 4-(5-bromo-2-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 413.24 |
| Molecular Formula: | C20 H14 Br F N2 O2 |
| Smiles: | C1CC2=C(C(C(C#N)=C(n3cccc3)O2)c2cc(ccc2F)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5694 |
| logD: | 4.5694 |
| logSw: | -4.5855 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.385 |
| InChI Key: | TXEGOFXPENKWPT-GOSISDBHSA-N |