N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitrobenzamide
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3756 |
| Compound Name: | N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 336.37 |
| Molecular Formula: | C14 H16 N4 O4 S |
| Smiles: | CCCCc1nnc(NC(c2ccc(c(c2)[N+]([O-])=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1899 |
| logD: | 1.69 |
| logSw: | -3.6576 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.081 |
| InChI Key: | RPLJRNLVSYVTDE-UHFFFAOYSA-N |