ethyl 3-(2-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamido)benzoate
ethyl 3-(2-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8016-1616 |
| Compound Name: | ethyl 3-(2-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C20 H18 N4 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1nc(c[nH]1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5618 |
| logD: | 4.5617 |
| logSw: | -4.3965 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.813 |
| InChI Key: | NGEPYYPBNQWMAD-UHFFFAOYSA-N |