4-{5-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]penta-1,3-dien-1-yl}-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
4-{5-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]penta-1,3-dien-1-yl}-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate
4-{5-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]penta-1,3-dien-1-yl}-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 1154-0003 |
| Compound Name: | 4-{5-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]penta-1,3-dien-1-yl}-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 782.93 |
| Molecular Formula: | C25 H14 N4 O12 S2 |
| Salt: | 4K+ |
| Smiles: | C(=C/C=C1/C(C([O-])=O)=NN(C1=O)c1ccc(cc1)S([O-])(=O)=O)\C=C/c1c(C([O-])=O)nn(c2ccc(cc2)S([O-])(=O)=O)c1O |
| Stereo: | ACHIRAL |
| logP: | -4.229 |
| logD: | -6.1659 |
| logSw: | -1.9283 |
| Hydrogen bond acceptors count: | 23 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 198.101 |
| InChI Key: | TZPWPQHXYQGSRG-QDYAEATFSA-J |