5-(2H-1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)-4-benzoyl-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)-4-benzoyl-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
5-(2H-1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)-4-benzoyl-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 4393-0140 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)-4-benzoyl-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 456.48 |
| Molecular Formula: | C25 H16 N2 O5 S |
| Smiles: | C1Oc2ccc(cc2O1)C1C(=C(C(N1c1nc2ccccc2s1)=O)O)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8096 |
| logD: | 4.6672 |
| logSw: | -4.6367 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.866 |
| InChI Key: | IGMUCZHGDUNOFC-OAQYLSRUSA-N |