N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3496 |
| Compound Name: | N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide |
| Molecular Weight: | 308.31 |
| Molecular Formula: | C12 H12 N4 O4 S |
| Smiles: | CCOCc1nnc(NC(c2ccccc2[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.938 |
| logD: | -1.1846 |
| logSw: | -2.8403 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.509 |
| InChI Key: | KACJVLXEYCZUOE-UHFFFAOYSA-N |