5-(4-ethylphenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
5-(4-ethylphenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one
5-(4-ethylphenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-2951 |
| Compound Name: | 5-(4-ethylphenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C23 H21 N3 O3 S2 |
| Smiles: | CCc1ccc(cc1)C1C(=C(C(N1c1nnc(SC)s1)=O)O)C(c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1838 |
| logD: | 5.1351 |
| logSw: | -4.8934 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.895 |
| InChI Key: | NGHUHZDSXBBESQ-GOSISDBHSA-N |