4-benzoyl-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(pyridin-3-yl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-benzoyl-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(pyridin-3-yl)-1,5-dihydro-2H-pyrrol-2-one
4-benzoyl-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(pyridin-3-yl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-4683 |
| Compound Name: | 4-benzoyl-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(pyridin-3-yl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C25 H18 N4 O3 S2 |
| Smiles: | C(c1ccccc1)Sc1nnc(N2C(C(=C(C2=O)O)C(c2ccccc2)=O)c2cccnc2)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6931 |
| logD: | 3.6408 |
| logSw: | -3.7623 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.142 |
| InChI Key: | QMSRBNRETUAXDH-HXUWFJFHSA-N |