N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamide
N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8006-2508 |
| Compound Name: | N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 376.37 |
| Molecular Formula: | C12 H8 N8 O3 S2 |
| Smiles: | C(C(Nc1nc2cc(ccc2s1)[N+]([O-])=O)=O)Sc1nnc2[nH]cnn12 |
| Stereo: | ACHIRAL |
| logP: | 1.3536 |
| logD: | 0.9104 |
| logSw: | -2.5505 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.614 |
| InChI Key: | NIRFYJCDBGWEBJ-UHFFFAOYSA-N |