2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-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-(3,4-dimethoxyphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C437-0152 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 443.41 |
| Molecular Formula: | C20 H21 N5 O7 |
| Smiles: | COc1ccc(CCNc2c(nn(c3ccc4c(c3)OCCO4)[n+]2[O-])[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.5041 |
| logD: | 1.5041 |
| logSw: | -2.1792 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.331 |
| InChI Key: | FQDIXADJRFTAAD-UHFFFAOYSA-N |