4-{[2-(3-chloro-1-benzothiophen-2-yl)-1-(4-ethoxyphenyl)-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-(3-chloro-1-benzothiophen-2-yl)-1-(4-ethoxyphenyl)-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}benzoic acid
4-{[2-(3-chloro-1-benzothiophen-2-yl)-1-(4-ethoxyphenyl)-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 5730-0073 |
| Compound Name: | 4-{[2-(3-chloro-1-benzothiophen-2-yl)-1-(4-ethoxyphenyl)-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}benzoic acid |
| Molecular Weight: | 502.98 |
| Molecular Formula: | C27 H19 Cl N2 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c(c3ccccc3s2)[Cl])=NC(=C\c2ccc(cc2)C(O)=O)\C1=O |
| Stereo: | ACHIRAL |
| logP: | 6.4092 |
| logD: | 2.8024 |
| logSw: | -5.9254 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.207 |
| InChI Key: | NCJRDEIGMHENFS-UHFFFAOYSA-N |