N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3363 |
| Compound Name: | N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 340.36 |
| Molecular Formula: | C16 H12 N4 O3 S |
| Smiles: | C(c1ccccc1)c1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6823 |
| logD: | 2.5055 |
| logSw: | -4.1501 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.48 |
| InChI Key: | MNTFPGHLMOOBND-UHFFFAOYSA-N |