4-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
4-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3172-0713 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide |
| Molecular Weight: | 385.4 |
| Molecular Formula: | C18 H15 N3 O5 S |
| Smiles: | CC1/C(=C/c2ccc3c(c2)OCO3)C(N(c2ccc(cc2)S(N)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8447 |
| logD: | 1.8436 |
| logSw: | -2.5721 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.305 |
| InChI Key: | GPGGCEPDWIVOKL-NVNXTCNLSA-N |