3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-5088 |
| Compound Name: | 3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | CC1Cc2cc(ccc2O1)C(C1C(c2ccc(C)cc2)N(C(C=1O)=O)c1nnc(C)s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7889 |
| logD: | 3.7401 |
| logSw: | -3.9102 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.742 |
| InChI Key: | YJJWTEMKLFVUAO-UHFFFAOYSA-N |