3-benzyl-8-nitro[1,2,4]triazolo[3,4-b][1,3,4]benzothiadiazepine
Chemical Structure Depiction of
3-benzyl-8-nitro[1,2,4]triazolo[3,4-b][1,3,4]benzothiadiazepine
3-benzyl-8-nitro[1,2,4]triazolo[3,4-b][1,3,4]benzothiadiazepine
Compound characteristics
| Compound ID: | 8014-9949 |
| Compound Name: | 3-benzyl-8-nitro[1,2,4]triazolo[3,4-b][1,3,4]benzothiadiazepine |
| Molecular Weight: | 337.36 |
| Molecular Formula: | C16 H11 N5 O2 S |
| Smiles: | C(c1ccccc1)c1nnc2n1N=Cc1cc(ccc1S2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1784 |
| logD: | 3.1784 |
| logSw: | -3.3942 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.607 |
| InChI Key: | VZFKGHPLZFQXDL-UHFFFAOYSA-N |