4-[4-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-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}-5-oxo-3-(trifluoromethyl)-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}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4545-1522 |
| Compound Name: | 4-[4-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide |
| Molecular Weight: | 530.44 |
| Molecular Formula: | C23 H13 F3 N4 O6 S |
| Smiles: | C(=C1/C(C(F)(F)F)=NN(C1=O)c1ccc(cc1)S(N)(=O)=O)\c1ccc(c2ccc3C(NC(c3c2)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.3788 |
| logD: | 2.3586 |
| logSw: | -3.1649 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.352 |
| InChI Key: | LGEIQZMEMRMJBZ-UHFFFAOYSA-N |