2-chloro-5-[4-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[4-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
2-chloro-5-[4-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 8009-5003 |
| Compound Name: | 2-chloro-5-[4-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 504.37 |
| Molecular Formula: | C27 H19 Cl2 N3 O3 |
| Smiles: | CC1/C(=C\c2cn(Cc3ccc(cc3)[Cl])c3ccccc23)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8755 |
| logD: | 2.0725 |
| logSw: | -5.6778 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.727 |
| InChI Key: | CNYDEQFYBKYZIP-UHFFFAOYSA-N |