N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-nitrobenzamide
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3733 |
| Compound Name: | N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 320.37 |
| Molecular Formula: | C14 H16 N4 O3 S |
| Smiles: | CCCCc1nnc(NC(c2cccc(c2C)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9321 |
| logD: | 1.6017 |
| logSw: | -4.0626 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.45 |
| InChI Key: | PZZVNXRJYPJCHT-UHFFFAOYSA-N |