4-{4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-{4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
4-{4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3697-0061 |
| Compound Name: | 4-{4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide |
| Molecular Weight: | 515.18 |
| Molecular Formula: | C17 H13 Br2 N3 O4 S |
| Smiles: | CC1/C(=C/c2cc(c(c(c2)[Br])O)[Br])C(N(c2ccc(cc2)S(N)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6523 |
| logD: | 2.2322 |
| logSw: | -2.9711 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.669 |
| InChI Key: | AIYBGIOCNVQEST-UHFFFAOYSA-N |