4,5-dimethoxy-2-nitro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
4,5-dimethoxy-2-nitro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
4,5-dimethoxy-2-nitro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-3705 |
| Compound Name: | 4,5-dimethoxy-2-nitro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C16 H20 N4 O5 S |
| Smiles: | CCCC(C)c1nnc(NC(c2cc(c(cc2[N+]([O-])=O)OC)OC)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4742 |
| logD: | 1.3021 |
| logSw: | -3.9499 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.216 |
| InChI Key: | ASHPPHQDXCBFGR-VIFPVBQESA-N |