2-amino-1-(4-methoxyphenyl)-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-methoxyphenyl)-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-methoxyphenyl)-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7063 |
| Compound Name: | 2-amino-1-(4-methoxyphenyl)-5-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C24 H22 N6 O2 S |
| Smiles: | COc1ccc(cc1)N1C2CCCC(C=2C(C(C#N)=C1N)c1cc(Cn2cncn2)cs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8507 |
| logD: | 1.8507 |
| logSw: | -2.4323 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.916 |
| InChI Key: | LFHUQHHALPNBAX-QFIPXVFZSA-N |