4,4'-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Chemical Structure Depiction of
4,4'-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
4,4'-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Compound characteristics
| Compound ID: | 4896-0986 |
| Compound Name: | 4,4'-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) |
| Molecular Weight: | 587.47 |
| Molecular Formula: | C30 H27 Br N4 O4 |
| Smiles: | CC1=C(C(C2=C(C)N(C)N(C2=O)c2ccccc2)c2cc3c(cc2[Br])OCO3)C(N(c2ccccc2)N1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.645 |
| logD: | 3.645 |
| logSw: | -3.793 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.175 |
| InChI Key: | CLXJWLAWBUJMQM-UHFFFAOYSA-N |