2-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}propanoic acid
Chemical Structure Depiction of
2-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}propanoic acid
2-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | D317-5177 |
| Compound Name: | 2-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}propanoic acid |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C19 H18 N2 O4 S2 |
| Smiles: | CC(C(O)=O)Sc1c(nc(c2ccccc2)[nH]1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.013 |
| logD: | 0.9368 |
| logSw: | -3.9807 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.142 |
| InChI Key: | ZIPCOMALHKMNIL-ZDUSSCGKSA-N |