2-amino-4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-4735 |
| Compound Name: | 2-amino-4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-5-oxo-1-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 648.64 |
| Molecular Formula: | C31 H27 Cl2 N7 O S2 |
| Smiles: | CC(C)Sc1nnc(N2C3CCCC(C=3C(C(C#N)=C2N)c2cn(Cc3ccc(cc3[Cl])[Cl])nc2c2ccccc2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5663 |
| logD: | 6.5663 |
| logSw: | -6.0796 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.837 |
| InChI Key: | KLVAWFYVJSXVME-SANMLTNESA-N |