2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0184 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 293.24 |
| Molecular Formula: | C11 H11 N5 O5 |
| Smiles: | CNc1c(nn(c2ccc3c(c2)OCCO3)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.3207 |
| logD: | 0.3207 |
| logSw: | -1.9783 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.651 |
| InChI Key: | RHYYEMXCSCZNDQ-UHFFFAOYSA-N |