4-(2H-1,3-benzodioxol-5-yl)-1,2,4-triazolidine-3,5-dione
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-1,2,4-triazolidine-3,5-dione
4-(2H-1,3-benzodioxol-5-yl)-1,2,4-triazolidine-3,5-dione
Compound characteristics
| Compound ID: | 8019-8234 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1,2,4-triazolidine-3,5-dione |
| Molecular Weight: | 221.17 |
| Molecular Formula: | C9 H7 N3 O4 |
| Smiles: | C1Oc2ccc(cc2O1)N1C(NNC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5967 |
| logD: | 0.5703 |
| logSw: | -2.0049 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.601 |
| InChI Key: | GSVWLLKZQHIXKN-UHFFFAOYSA-N |