1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-phenyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-phenyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-phenyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8015-3197 |
| Compound Name: | 1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-phenyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 475.63 |
| Molecular Formula: | C26 H25 N3 O2 S2 |
| Smiles: | CC1(C)CC2=C(C(CC(N2c2nnc(SCc3ccccc3)s2)=O)c2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.627 |
| logD: | 4.627 |
| logSw: | -4.5016 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.994 |
| InChI Key: | GFIPAUMRJJCUET-LJQANCHMSA-N |