3-(2H-1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-(2H-1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | K243-0153 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 381.37 |
| Molecular Formula: | C17 H11 N5 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nnc2n1N=C(CS2)c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8353 |
| logD: | 3.8353 |
| logSw: | -4.2061 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.455 |
| InChI Key: | UKTCEXNGXDAIKP-UHFFFAOYSA-N |