2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2,6-difluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2,6-difluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2,6-difluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-9555 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2,6-difluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 421.4 |
| Molecular Formula: | C23 H17 F2 N3 O3 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2c(cccc2F)F)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3992 |
| logD: | 3.3992 |
| logSw: | -3.8904 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.89 |
| InChI Key: | NDUJULUDIVQTHT-FQEVSTJZSA-N |