2-amino-4-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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: | 4404-0283 |
| Compound Name: | 2-amino-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C21 H22 N6 O2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2nc[nH]n2)c2cccc(c2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6518 |
| logD: | 1.6518 |
| logSw: | -2.085 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.551 |
| InChI Key: | HWBMTGNNIWTUOD-QGZVFWFLSA-N |