2-amino-1-(4-chlorophenyl)-7,7-dimethyl-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-chlorophenyl)-7,7-dimethyl-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-chlorophenyl)-7,7-dimethyl-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: | 8017-7062 |
| Compound Name: | 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-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: | 491.01 |
| Molecular Formula: | C25 H23 Cl N6 O S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)[Cl])c2cc(Cn3cncn3)cs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.088 |
| logD: | 3.088 |
| logSw: | -3.4847 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.372 |
| InChI Key: | XVWGJONPUOEATO-JOCHJYFZSA-N |