5-nitro-2-{[(3-{[(4-nitrophenyl)methyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)imino]methyl}phenol
Chemical Structure Depiction of
5-nitro-2-{[(3-{[(4-nitrophenyl)methyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)imino]methyl}phenol
5-nitro-2-{[(3-{[(4-nitrophenyl)methyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)imino]methyl}phenol
Compound characteristics
| Compound ID: | 8005-2409 |
| Compound Name: | 5-nitro-2-{[(3-{[(4-nitrophenyl)methyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)imino]methyl}phenol |
| Molecular Weight: | 440.39 |
| Molecular Formula: | C17 H12 N8 O5 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Sc1nnc2n(cnn12)/N=C/c1ccc(cc1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2569 |
| logD: | 1.307 |
| logSw: | -2.1738 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 129.911 |
| InChI Key: | YMFOKUAXLMGRMW-UHFFFAOYSA-N |