2-chloro-5-({[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Chemical Structure Depiction of
2-chloro-5-({[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
2-chloro-5-({[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 8005-3190 |
| Compound Name: | 2-chloro-5-({[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid |
| Molecular Weight: | 390.22 |
| Molecular Formula: | C18 H13 Cl2 N3 O3 |
| Smiles: | CC1/C(=C/Nc2ccc(c(c2)C(O)=O)[Cl])C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1395 |
| logD: | 0.3364 |
| logSw: | -4.3012 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.596 |
| InChI Key: | XNWMPEJAZDHAHL-UHFFFAOYSA-N |