4,5-dimethoxy-2-nitro-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
4,5-dimethoxy-2-nitro-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
4,5-dimethoxy-2-nitro-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-3389 |
| Compound Name: | 4,5-dimethoxy-2-nitro-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C16 H20 N4 O5 S |
| Smiles: | CCC(CC)c1nnc(NC(c2cc(c(cc2[N+]([O-])=O)OC)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5395 |
| logD: | 1.3674 |
| logSw: | -3.8737 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.216 |
| InChI Key: | AUPGJDSBZVUZMW-UHFFFAOYSA-N |