2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(5-bromopyridin-2-yl)-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-(5-bromopyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(5-bromopyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-1081 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(5-bromopyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 465.3 |
| Molecular Formula: | C22 H17 Br N4 O3 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2ccc(cn2)[Br])c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4988 |
| logD: | 3.4988 |
| logSw: | -3.7316 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.093 |
| InChI Key: | AGEHTOIMUBUVAJ-FQEVSTJZSA-N |