7-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl]-8-hydroxynaphthalene-1,3-disulfonic acid
Chemical Structure Depiction of
7-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl]-8-hydroxynaphthalene-1,3-disulfonic acid
7-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl]-8-hydroxynaphthalene-1,3-disulfonic acid
Compound characteristics
| Compound ID: | 6253-0541 |
| Compound Name: | 7-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl]-8-hydroxynaphthalene-1,3-disulfonic acid |
| Molecular Weight: | 518.52 |
| Molecular Formula: | C21 H18 N4 O8 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=N/c1ccc2cc(cc(c2c1O)S(O)(=O)=O)S(O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.9044 |
| logD: | -15.9682 |
| logSw: | -2.2879 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 141.645 |
| InChI Key: | UGHDVISVXGWXOJ-UHFFFAOYSA-N |