3-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
3-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
3-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | 0831-1306 |
| Compound Name: | 3-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 292.31 |
| Molecular Formula: | C12 H12 N4 O3 S |
| Smiles: | CC(C)c1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0453 |
| logD: | 1.2687 |
| logSw: | -3.5642 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.256 |
| InChI Key: | UNHJRGOHVYWUNL-UHFFFAOYSA-N |