4-(5-{[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonic acid
Chemical Structure Depiction of
4-(5-{[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonic acid
4-(5-{[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 3033-1491 |
| Compound Name: | 4-(5-{[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonic acid |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C23 H20 N2 O5 S |
| Smiles: | CC1/C(=C\c2ccc(c3ccc(cc3)S(O)(=O)=O)o2)C(N(c2ccc(C)c(C)c2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7642 |
| logD: | -10.9357 |
| logSw: | -3.0501 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.571 |
| InChI Key: | XWIOHNIZKMIDJC-UHFFFAOYSA-N |