N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2525 |
| Compound Name: | N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide |
| Molecular Weight: | 320.37 |
| Molecular Formula: | C14 H16 N4 O3 S |
| Smiles: | CC(C)(C)Cc1nnc(NC(c2ccccc2[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6706 |
| logD: | 0.5687 |
| logSw: | -4.0971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.45 |
| InChI Key: | QIBMZROMKNUHRC-UHFFFAOYSA-N |