4,4'-[(3,4-dihydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Chemical Structure Depiction of
4,4'-[(3,4-dihydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
4,4'-[(3,4-dihydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Compound characteristics
| Compound ID: | 4896-0985 |
| Compound Name: | 4,4'-[(3,4-dihydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C29 H28 N4 O4 |
| Smiles: | CC1=C(C(C2=C(C)N(C)N(C2=O)c2ccccc2)c2ccc(c(c2)O)O)C(N(c2ccccc2)N1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0402 |
| logD: | 1.9928 |
| logSw: | -2.3425 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.156 |
| InChI Key: | SXXAOSNBGRKTRW-UHFFFAOYSA-N |