2-amino-4-(2-methylphenyl)-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-(2-methylphenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2-methylphenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4404-0235 |
| Compound Name: | 2-amino-4-(2-methylphenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 346.39 |
| Molecular Formula: | C19 H18 N6 O |
| Smiles: | Cc1ccccc1C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1nc[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.614 |
| logD: | 1.614 |
| logSw: | -1.982 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.007 |
| InChI Key: | IIGQMLXRZBXFHZ-MRXNPFEDSA-N |