2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-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-(2-methoxyethyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0962 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 337.29 |
| Molecular Formula: | C13 H15 N5 O6 |
| Smiles: | COCCNc1c(nn(c2ccc3c(c2)OCCO3)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.5464 |
| logD: | 0.5464 |
| logSw: | -2.0115 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.684 |
| InChI Key: | YPGQPURRVBVHDJ-UHFFFAOYSA-N |