2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C437-0021 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 415.36 |
| Molecular Formula: | C18 H17 N5 O7 |
| Smiles: | COc1cc(cc(c1)OC)Nc1c(nn(c2ccc3c(c2)OCCO3)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1998 |
| logD: | 2.1998 |
| logSw: | -2.7091 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.994 |
| InChI Key: | JEKSJXRXDAOGRT-UHFFFAOYSA-N |