3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | 2513-1522 |
| Compound Name: | 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C21 H22 N4 O6 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(Nc1nnc(c2cccc(c2)[N+]([O-])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4971 |
| logD: | 4.497 |
| logSw: | -4.3172 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.702 |
| InChI Key: | SFRCYEOXHGEVPS-UHFFFAOYSA-N |