ethyl 4-(2-{[5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K401-1837 |
| Compound Name: | ethyl 4-(2-{[5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 487.51 |
| Molecular Formula: | C20 H17 N5 O6 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4348 |
| logD: | 4.0358 |
| logSw: | -4.2923 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.249 |
| InChI Key: | RJACLEOUYPIWOH-UHFFFAOYSA-N |