4-(5-{[1-(2-bromo-4,5-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-(5-{[1-(2-bromo-4,5-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide
4-(5-{[1-(2-bromo-4,5-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4681-3974 |
| Compound Name: | 4-(5-{[1-(2-bromo-4,5-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 514.4 |
| Molecular Formula: | C23 H20 Br N3 O4 S |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3)S(N)(=O)=O)o2)C(N(c2cc(C)c(C)cc2[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8014 |
| logD: | 4.8006 |
| logSw: | -4.7656 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.459 |
| InChI Key: | SBRXBWIRNSEWIM-UHFFFAOYSA-N |