2-amino-7,7-dimethyl-4-(3-nitrophenyl)-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-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4404-0355 |
| Compound Name: | 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C20 H19 N7 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2nc[nH]n2)c2cccc(c2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.504 |
| logD: | 1.5039 |
| logSw: | -2.2907 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.388 |
| InChI Key: | BJILCWSSIVXDKB-MRXNPFEDSA-N |