5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7148 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C21 H19 N O6 S |
| Smiles: | C1CC(CN2C(C(=C(C2=O)O)C(c2cccs2)=O)c2ccc3c(c2)OCO3)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.652 |
| logD: | 2.6394 |
| logSw: | -2.8574 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.615 |
| InChI Key: | UNIGKIFDNFRPDE-UHFFFAOYSA-N |