2-amino-4-(4-nitrophenyl)-5-oxo-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-nitrophenyl)-5-oxo-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-nitrophenyl)-5-oxo-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-8098 |
| Compound Name: | 2-amino-4-(4-nitrophenyl)-5-oxo-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 584.6 |
| Molecular Formula: | C26 H19 F3 N6 O3 S2 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2nnc(SCc3cccc(c3)C(F)(F)F)s2)c2ccc(cc2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9219 |
| logD: | 4.9219 |
| logSw: | -5.0916 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.167 |
| InChI Key: | LMHHOROAVJBCGF-NRFANRHFSA-N |