2-amino-4-(4-bromophenyl)-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-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4404-0154 |
| Compound Name: | 2-amino-4-(4-bromophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 411.26 |
| Molecular Formula: | C18 H15 Br N6 O |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2nc[nH]n2)c2ccc(cc2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8483 |
| logD: | 1.8482 |
| logSw: | -2.2853 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.007 |
| InChI Key: | QIBIEWBPKLFYPJ-OAHLLOKOSA-N |