3-({[1-(4-bromo-2,3-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4-methylbenzoic acid
Chemical Structure Depiction of
3-({[1-(4-bromo-2,3-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4-methylbenzoic acid
3-({[1-(4-bromo-2,3-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4-methylbenzoic acid
Compound characteristics
| Compound ID: | 5881-0343 |
| Compound Name: | 3-({[1-(4-bromo-2,3-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4-methylbenzoic acid |
| Molecular Weight: | 442.31 |
| Molecular Formula: | C21 H20 Br N3 O3 |
| Smiles: | CC1/C(=C/Nc2cc(ccc2C)C(O)=O)C(N(c2ccc(c(C)c2C)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0067 |
| logD: | 2.5388 |
| logSw: | -4.4081 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.597 |
| InChI Key: | FQJWFHDXOKXBNT-UHFFFAOYSA-N |