7,7-dimethyl-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
7,7-dimethyl-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
7,7-dimethyl-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: | 8015-7099 |
| Compound Name: | 7,7-dimethyl-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: | 557.66 |
| Molecular Formula: | C28 H26 F3 N3 O2 S2 |
| Smiles: | Cc1ccccc1C1CC(N(C2CC(C)(C)CC(C1=2)=O)c1nnc(SCc2cccc(c2)C(F)(F)F)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1604 |
| logD: | 6.1604 |
| logSw: | -5.6555 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.994 |
| InChI Key: | OXHCVJIZDMHOAK-HXUWFJFHSA-N |