N-[(2-chlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0420 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 403.78 |
| Molecular Formula: | C17 H14 Cl N5 O5 |
| Smiles: | C(c1ccccc1[Cl])Nc1c(nn(c2ccc3c(c2)OCCO3)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4125 |
| logD: | 2.4125 |
| logSw: | -3.2404 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.229 |
| InChI Key: | KNBRAQWSXCMPBS-UHFFFAOYSA-N |