2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methylphenyl)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-methylphenyl)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-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C437-0104 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methylphenyl)ethyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 397.39 |
| Molecular Formula: | C19 H19 N5 O5 |
| Smiles: | Cc1cccc(CCNc2c(nn(c3ccc4c(c3)OCCO4)[n+]2[O-])[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5777 |
| logD: | 2.5777 |
| logSw: | -2.6417 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.07 |
| InChI Key: | WCOZULOMLLAVMM-UHFFFAOYSA-N |