6-(4-nitrophenyl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(4-nitrophenyl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(4-nitrophenyl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D181-0197 |
| Compound Name: | 6-(4-nitrophenyl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 353.36 |
| Molecular Formula: | C16 H11 N5 O3 S |
| Smiles: | C(c1nnc2n1nc(c1ccc(cc1)[N+]([O-])=O)s2)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.025 |
| logD: | 3.025 |
| logSw: | -3.4159 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.578 |
| InChI Key: | WJUMSYZWHCOLDG-UHFFFAOYSA-N |