N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 0945-0138 |
| Compound Name: | N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide |
| Molecular Weight: | 309.26 |
| Molecular Formula: | C10 H7 N5 O5 S |
| Smiles: | Cc1nnc(NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.9123 |
| logD: | -1.0369 |
| logSw: | -2.6589 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.444 |
| InChI Key: | HKQLVSVRCAFLQV-UHFFFAOYSA-N |