methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(2-chlorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(2-chlorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(2-chlorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5618-4059 |
| Compound Name: | methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(2-chlorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 397.81 |
| Molecular Formula: | C21 H16 Cl N O5 |
| Smiles: | CC1=C(/C(=C/c2ccc3c(c2)OCO3)C(N1c1ccccc1[Cl])=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7553 |
| logD: | 3.7553 |
| logSw: | -4.1445 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.313 |
| InChI Key: | XBTBUVCGUVXUMN-UHFFFAOYSA-N |