2-amino-4-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-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: | 8015-7899 |
| Compound Name: | 2-amino-4-(2,3-dimethoxyphenyl)-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: | 599.65 |
| Molecular Formula: | C28 H24 F3 N5 O3 S2 |
| Smiles: | COc1cccc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2nnc(SCc3cccc(c3)C(F)(F)F)s2)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0316 |
| logD: | 5.0316 |
| logSw: | -4.9439 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.133 |
| InChI Key: | ODFPLEYWMDMWGQ-QFIPXVFZSA-N |