methyl 4-(3,5-dioxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}pyrazolidin-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3,5-dioxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}pyrazolidin-1-yl)benzoate
methyl 4-(3,5-dioxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}pyrazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 3871-0385 |
| Compound Name: | methyl 4-(3,5-dioxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}pyrazolidin-1-yl)benzoate |
| Molecular Weight: | 466.47 |
| Molecular Formula: | C22 H18 N4 O6 S |
| Smiles: | COC(c1ccc(cc1)N1C(C(=C/c2cccn2c2ccc(cc2)S(N)(=O)=O)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.721 |
| logD: | 1.6491 |
| logSw: | -2.3101 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.066 |
| InChI Key: | JTVWJPPREMYXND-UHFFFAOYSA-N |