2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(4H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(4H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(4H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y020-1718 |
| Compound Name: | 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(4H-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)N2c2nnc[nH]2)c2ccc(cc2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1951 |
| logD: | 1.1632 |
| logSw: | -1.8255 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.551 |
| InChI Key: | ITNDWUDGRLTHGN-QGZVFWFLSA-N |