N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C437-0298 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 385.33 |
| Molecular Formula: | C17 H15 N5 O6 |
| Smiles: | COc1ccc(cc1)n1nc(c(NCc2ccc3c(c2)OCO3)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4614 |
| logD: | 2.4614 |
| logSw: | -2.791 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.065 |
| InChI Key: | ZFCKGGZZVGDQEZ-UHFFFAOYSA-N |