4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7997 |
| Compound Name: | 4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 396.85 |
| Molecular Formula: | C22 H18 Cl F N2 O2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(n3cccc3)O2)c2c(cccc2[Cl])F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4426 |
| logD: | 4.4426 |
| logSw: | -4.5975 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.385 |
| InChI Key: | XUIYISMMAGIXFV-SFHVURJKSA-N |