4,4'-{[4-(benzyloxy)-2,3-dibromo-5-methoxyphenyl]methylene}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Chemical Structure Depiction of
4,4'-{[4-(benzyloxy)-2,3-dibromo-5-methoxyphenyl]methylene}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
4,4'-{[4-(benzyloxy)-2,3-dibromo-5-methoxyphenyl]methylene}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Compound characteristics
| Compound ID: | Y508-5839 |
| Compound Name: | 4,4'-{[4-(benzyloxy)-2,3-dibromo-5-methoxyphenyl]methylene}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) |
| Molecular Weight: | 758.51 |
| Molecular Formula: | C37 H34 Br2 N4 O4 |
| Smiles: | CC1=C(C(C2=C(C)N(C)N(C2=O)c2ccccc2)c2cc(c(c(c2[Br])[Br])OCc2ccccc2)OC)C(N(c2ccccc2)N1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8903 |
| logD: | 5.8903 |
| logSw: | -5.4648 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.091 |
| InChI Key: | NWHTXGQOOQGRQG-UHFFFAOYSA-N |