2-chloro-5-{2-[(4-{[4-(dimethylamino)phenyl]methylidene}-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{2-[(4-{[4-(dimethylamino)phenyl]methylidene}-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid
2-chloro-5-{2-[(4-{[4-(dimethylamino)phenyl]methylidene}-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | 8014-3581 |
| Compound Name: | 2-chloro-5-{2-[(4-{[4-(dimethylamino)phenyl]methylidene}-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 535.02 |
| Molecular Formula: | C27 H23 Cl N4 O4 S |
| Smiles: | CN(C)c1ccc(\C=C2/C(N(C(=N2)SCC(Nc2ccc(c(c2)C(O)=O)[Cl])=O)c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8134 |
| logD: | 1.0103 |
| logSw: | -4.6392 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.712 |
| InChI Key: | VABWPMPJLRYLNC-UHFFFAOYSA-N |