2-chloro-5-[4-({3,5-dibromo-2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[4-({3,5-dibromo-2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
2-chloro-5-[4-({3,5-dibromo-2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 8009-4992 |
| Compound Name: | 2-chloro-5-[4-({3,5-dibromo-2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 554.62 |
| Molecular Formula: | C21 H15 Br2 Cl N2 O4 |
| Smiles: | CC1/C(=C/c2cc(cc(c2OCC=C)[Br])[Br])C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9298 |
| logD: | 2.1267 |
| logSw: | -5.7565 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.586 |
| InChI Key: | UGRZMVFVPBTLHC-UHFFFAOYSA-N |