4,4'-[(2,5-dibromo-3,4-dihydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)--hydrogen chloride (1/1)
Chemical Structure Depiction of
4,4'-[(2,5-dibromo-3,4-dihydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)--hydrogen chloride (1/1)
4,4'-[(2,5-dibromo-3,4-dihydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8004-7553 |
| Compound Name: | 4,4'-[(2,5-dibromo-3,4-dihydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)--hydrogen chloride (1/1) |
| Molecular Weight: | 690.82 |
| Molecular Formula: | C29 H26 Br2 N4 O4 |
| Salt: | HCl |
| Smiles: | CC1=C(C(C2=C(C)N(C)N(C2=O)c2ccccc2)c2cc(c(c(c2[Br])O)O)[Br])C(N(c2ccccc2)N1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2155 |
| logD: | 3.1021 |
| logSw: | -4.2318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.018 |
| InChI Key: | JUWYAKUQSHLCGD-UHFFFAOYSA-N |