4-(2-chlorophenyl)-7,7-dimethyl-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-chlorophenyl)-7,7-dimethyl-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-chlorophenyl)-7,7-dimethyl-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: | 8015-8176 |
| Compound Name: | 4-(2-chlorophenyl)-7,7-dimethyl-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: | 578.07 |
| Molecular Formula: | C27 H23 Cl F3 N3 O2 S2 |
| Smiles: | CC1(C)CC2=C(C(CC(N2c2nnc(SCc3cccc(c3)C(F)(F)F)s2)=O)c2ccccc2[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3068 |
| logD: | 6.3068 |
| logSw: | -6.1649 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.994 |
| InChI Key: | VSPNXDNFZUPSHE-SFHVURJKSA-N |