methyl 4-(3,5-dioxo-4-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}pyrazolidin-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3,5-dioxo-4-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}pyrazolidin-1-yl)benzoate
methyl 4-(3,5-dioxo-4-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}pyrazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 3871-0163 |
| Compound Name: | methyl 4-(3,5-dioxo-4-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}pyrazolidin-1-yl)benzoate |
| Molecular Weight: | 467.46 |
| Molecular Formula: | C22 H17 N3 O7 S |
| Smiles: | COC(c1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(cc3)S(N)(=O)=O)o2)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1012 |
| logD: | 2.0103 |
| logSw: | -2.7577 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.107 |
| InChI Key: | MJTIRGAAZAAKCI-UHFFFAOYSA-N |