7,7-dimethyl-4-phenyl-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-phenyl-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-phenyl-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: | 8015-8179 |
| Compound Name: | 7,7-dimethyl-4-phenyl-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: | 543.63 |
| Molecular Formula: | C27 H24 F3 N3 O2 S2 |
| Smiles: | CC1(C)CC2=C(C(CC(N2c2nnc(SCc3cccc(c3)C(F)(F)F)s2)=O)c2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6614 |
| logD: | 5.6614 |
| logSw: | -5.6044 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.994 |
| InChI Key: | NLOKUQHRKOUVFQ-LJQANCHMSA-N |