N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide
Chemical Structure Depiction of
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3802 |
| Compound Name: | N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide |
| Molecular Weight: | 336.37 |
| Molecular Formula: | C14 H16 N4 O4 S |
| Smiles: | CCOCCc1nnc(NC(c2cccc(C)c2[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.9516 |
| logD: | -0.6882 |
| logSw: | -3.6544 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.127 |
| InChI Key: | OUIJOGMWNQWRGG-UHFFFAOYSA-N |