N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
Chemical Structure Depiction of
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3728 |
| Compound Name: | N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | CCCCc1nnc(NC(c2ccccc2[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.38 |
| logD: | 0.278 |
| logSw: | -4.0028 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.45 |
| InChI Key: | WUNDRZNUDVGIFD-UHFFFAOYSA-N |