3-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}propanoic acid
Chemical Structure Depiction of
3-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}propanoic acid
3-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | D317-5222 |
| Compound Name: | 3-{[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: | Cc1ccc(cc1)S(c1c([nH]c(c2ccccc2)n1)SCCC(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.777 |
| logD: | 1.0942 |
| logSw: | -3.8461 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.118 |
| InChI Key: | BCJIMOMPBMBBAM-UHFFFAOYSA-N |