methyl {2-bromo-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetate
Chemical Structure Depiction of
methyl {2-bromo-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetate
methyl {2-bromo-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetate
Compound characteristics
Compound ID: | 5609-0193 |
Compound Name: | methyl {2-bromo-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetate |
Molecular Weight: | 429.27 |
Molecular Formula: | C20 H17 Br N2 O4 |
Smiles: | CC1/C(=C\c2ccc(c(c2)[Br])OCC(=O)OC)C(N(c2ccccc2)N=1)=O |
Stereo: | ACHIRAL |
logP: | 3.2175 |
logD: | 3.2175 |
logSw: | -3.3961 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 53.751 |
InChI Key: | TUHHITOPFXGDKZ-UHFFFAOYSA-N |