methyl 4-[4-hydroxy-3-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Chemical Structure Depiction of
methyl 4-[4-hydroxy-3-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
methyl 4-[4-hydroxy-3-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Compound characteristics
| Compound ID: | Y070-4969 |
| Compound Name: | methyl 4-[4-hydroxy-3-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C25 H21 N3 O6 S |
| Smiles: | CC1Cc2cc(ccc2O1)C(C1C(c2ccc(cc2)C(=O)OC)N(C(C=1O)=O)c1nnc(C)s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4562 |
| logD: | 3.4075 |
| logSw: | -3.5818 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.916 |
| InChI Key: | PBCWFIIRFHIKDS-UHFFFAOYSA-N |