3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(3-nitrophenyl)-1-(1,3-thiazol-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-(3-nitrophenyl)-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(3-nitrophenyl)-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-5023 |
| Compound Name: | 3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(3-nitrophenyl)-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 463.47 |
| Molecular Formula: | C23 H17 N3 O6 S |
| Smiles: | CC1Cc2cc(ccc2O1)C(C1C(c2cccc(c2)[N+]([O-])=O)N(C(C=1O)=O)c1nccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7093 |
| logD: | 3.5669 |
| logSw: | -3.9912 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.251 |
| InChI Key: | KQCVUMIUVRSSJS-UHFFFAOYSA-N |