3,5-dinitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
3,5-dinitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
3,5-dinitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | 0831-1313 |
| Compound Name: | 3,5-dinitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 337.31 |
| Molecular Formula: | C12 H11 N5 O5 S |
| Smiles: | CC(C)c1nnc(NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.064 |
| logD: | 0.1561 |
| logSw: | -3.5124 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.638 |
| InChI Key: | MMGLBDQONNDFQJ-UHFFFAOYSA-N |