3-[(2-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamido)methyl]benzoic acid
Chemical Structure Depiction of
3-[(2-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamido)methyl]benzoic acid
3-[(2-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamido)methyl]benzoic acid
Compound characteristics
| Compound ID: | 8016-7422 |
| Compound Name: | 3-[(2-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamido)methyl]benzoic acid |
| Molecular Weight: | 412.42 |
| Molecular Formula: | C19 H16 N4 O5 S |
| Smiles: | C(c1cccc(c1)C(O)=O)NC(CSc1nc(c[nH]1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3405 |
| logD: | -0.0208 |
| logSw: | -3.636 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.79 |
| InChI Key: | OLUYFMCOGRNHRO-UHFFFAOYSA-N |