2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethylphenyl)-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-dimethylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0441 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 383.36 |
| Molecular Formula: | C18 H17 N5 O5 |
| Smiles: | Cc1cc(C)cc(c1)Nc1c(nn(c2ccc3c(c2)OCCO3)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7537 |
| logD: | 2.7537 |
| logSw: | -3.1138 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.907 |
| InChI Key: | NNQYTMSJMPTIES-UHFFFAOYSA-N |