N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 0831-1266 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide |
| Molecular Weight: | 323.28 |
| Molecular Formula: | C11 H9 N5 O5 S |
| Smiles: | CCc1nnc(NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.6764 |
| logD: | -0.2521 |
| logSw: | -3.004 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.133 |
| InChI Key: | WBQDVQQZPHVTLG-UHFFFAOYSA-N |