4-butoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
4-butoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
4-butoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | 3202-0053 |
| Compound Name: | 4-butoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | CCCCOc1ccc(cc1)C(Nc1nnc(c2cccc(c2)[N+]([O-])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1898 |
| logD: | 5.1872 |
| logSw: | -4.9535 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.402 |
| InChI Key: | WRHLIFSPZJETLI-UHFFFAOYSA-N |