4-(thiophen-3-yl)-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-(thiophen-3-yl)-1-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
4-(thiophen-3-yl)-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: | 8015-3717 |
| Compound Name: | 4-(thiophen-3-yl)-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: | 521.6 |
| Molecular Formula: | C23 H18 F3 N3 O2 S3 |
| Smiles: | C1CC2=C(C(CC(N2c2nnc(SCc3cccc(c3)C(F)(F)F)s2)=O)c2ccsc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.781 |
| logD: | 4.781 |
| logSw: | -4.9044 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.013 |
| InChI Key: | WQXBWAFFWRXLDP-MRXNPFEDSA-N |