4-(2-methylphenyl)-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
4-(2-methylphenyl)-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
4-(2-methylphenyl)-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8015-3481 |
| Compound Name: | 4-(2-methylphenyl)-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 529.6 |
| Molecular Formula: | C26 H22 F3 N3 O2 S2 |
| Smiles: | Cc1ccccc1C1CC(N(C2CCCC(C1=2)=O)c1nnc(SCc2cccc(c2)C(F)(F)F)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5354 |
| logD: | 5.5354 |
| logSw: | -5.4506 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.994 |
| InChI Key: | XMCMZVSDLOANDB-LJQANCHMSA-N |