2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4404-0379 |
| Compound Name: | 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 392.42 |
| Molecular Formula: | C20 H20 N6 O3 |
| Smiles: | COc1ccc(cc1OC)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1nc[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6692 |
| logD: | 0.6692 |
| logSw: | -1.9058 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.268 |
| InChI Key: | FBFCEYANZKZVND-QGZVFWFLSA-N |