4-({3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-({3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3229-2564 |
| Compound Name: | 4-({3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 535.44 |
| Molecular Formula: | C28 H27 Br N2 O4 |
| Smiles: | CCOc1cc(\C=C2/C(C)=NN(C2=O)c2ccccc2)cc(c1OCCOc1ccc(C)cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.0895 |
| logD: | 6.0894 |
| logSw: | -5.4504 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.534 |
| InChI Key: | YFXLXAZHNUBGMY-UHFFFAOYSA-N |