N-(4-bromo-3-chlorophenyl)-2-{2-methoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetamide
Chemical Structure Depiction of
N-(4-bromo-3-chlorophenyl)-2-{2-methoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetamide
N-(4-bromo-3-chlorophenyl)-2-{2-methoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetamide
Compound characteristics
| Compound ID: | 4377-0191 |
| Compound Name: | N-(4-bromo-3-chlorophenyl)-2-{2-methoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetamide |
| Molecular Weight: | 554.83 |
| Molecular Formula: | C26 H21 Br Cl N3 O4 |
| Smiles: | CC1/C(=C\c2ccc(c(c2)OC)OCC(Nc2ccc(c(c2)[Cl])[Br])=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5185 |
| logD: | 5.5075 |
| logSw: | -6.0346 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.681 |
| InChI Key: | VLBMGZBKJBPIBL-UHFFFAOYSA-N |