2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-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-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-9360 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 433.89 |
| Molecular Formula: | C24 H20 Cl N3 O3 |
| Smiles: | Cc1c(cccc1[Cl])N1C2CCCC(C=2C(C(C#N)=C1N)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1288 |
| logD: | 4.1288 |
| logSw: | -4.5174 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.191 |
| InChI Key: | SBKBIMAHZHNSOX-QFIPXVFZSA-N |