4-(4-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-(4-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
4-(4-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4357-0852 |
| Compound Name: | 4-(4-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 476.47 |
| Molecular Formula: | C23 H16 N4 O6 S |
| Smiles: | CC1/C(=C\c2ccc(c3ccc4C(NC(c4c3)=O)=O)o2)C(N(c2ccc(cc2)S(N)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9327 |
| logD: | 1.9125 |
| logSw: | -2.9087 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.525 |
| InChI Key: | HTBUPUZVYWJAKT-UHFFFAOYSA-N |