3-{5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
3-{5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 6929-0040 |
| Compound Name: | 3-{5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid |
| Molecular Weight: | 348.3 |
| Molecular Formula: | C11 H8 N8 O4 S |
| Smiles: | Cn1c(nc(n1)[N+]([O-])=O)Sc1nnnn1c1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5122 |
| logD: | -2.6057 |
| logSw: | -2.0539 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 125.531 |
| InChI Key: | CPWMOSQNTVSDBD-UHFFFAOYSA-N |