N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3723 |
| Compound Name: | N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | CCCCc1nnc(NC(c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6169 |
| logD: | 2.7328 |
| logSw: | -3.8087 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.751 |
| InChI Key: | QQACXKQHVJCFSU-UHFFFAOYSA-N |