N-{4-[4-({2-bromo-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[4-({2-bromo-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide
N-{4-[4-({2-bromo-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide
Compound characteristics
| Compound ID: | Y508-6355 |
| Compound Name: | N-{4-[4-({2-bromo-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide |
| Molecular Weight: | 498.38 |
| Molecular Formula: | C24 H24 Br N3 O4 |
| Smiles: | CCOc1cc(\C=C2/C(C)=NN(C2=O)c2ccc(cc2)NC(C)=O)c(cc1OCC=C)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.4669 |
| logD: | 3.4668 |
| logSw: | -3.6344 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.563 |
| InChI Key: | UQDNEAUFNIBIDQ-UHFFFAOYSA-N |