2-amino-4-(2-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | 8015-8096 |
| Compound Name: | 2-amino-4-(2-methoxyphenyl)-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: | 569.63 |
| Molecular Formula: | C27 H22 F3 N5 O2 S2 |
| Smiles: | COc1ccccc1C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1nnc(SCc2cccc(c2)C(F)(F)F)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2032 |
| logD: | 5.2032 |
| logSw: | -5.1316 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.416 |
| InChI Key: | CNQWVNRUEQXTEH-QFIPXVFZSA-N |