N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3734 |
| Compound Name: | N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 336.37 |
| Molecular Formula: | C14 H16 N4 O4 S |
| Smiles: | CCOCCc1nnc(NC(c2cccc(c2C)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8566 |
| logD: | 0.5261 |
| logSw: | -3.7153 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.428 |
| InChI Key: | WRCIKVRNZJDGFL-UHFFFAOYSA-N |