4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-0326 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 483.95 |
| Molecular Formula: | C28 H22 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1[Cl])N1C2CCCC(C=2C(C(C#N)=C1n1cccc1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8803 |
| logD: | 5.8803 |
| logSw: | -6.1223 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.669 |
| InChI Key: | BVXDQPNHNYQTQZ-SANMLTNESA-N |