methyl 4-[4-hydroxy-3-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-oxo-1-(1,3-thiazol-2-yl)-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)-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate
methyl 4-[4-hydroxy-3-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Compound characteristics
| Compound ID: | Y070-4922 |
| Compound Name: | methyl 4-[4-hydroxy-3-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C25 H20 N2 O6 S |
| Smiles: | CC1Cc2cc(ccc2O1)C(C1C(c2ccc(cc2)C(=O)OC)N(C(C=1O)=O)c1nccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9276 |
| logD: | 3.7852 |
| logSw: | -4.0715 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.043 |
| InChI Key: | RBAKUQOKKHKIOS-UHFFFAOYSA-N |