2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-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-ethoxyphenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4404-0211 |
| Compound Name: | 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C22 H24 N6 O2 |
| Smiles: | CCOc1ccc(cc1)C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1nc[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0083 |
| logD: | 2.0083 |
| logSw: | -2.4738 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.131 |
| InChI Key: | ZEJPQRGWOSXZIJ-GOSISDBHSA-N |