N-[(2-chloro-4-fluorophenyl)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-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-[(2-chloro-4-fluorophenyl)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: | C301-0442 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 421.77 |
| Molecular Formula: | C17 H13 Cl F N5 O5 |
| Smiles: | C(c1ccc(cc1[Cl])F)Nc1c(nn(c2ccc3c(c2)OCCO3)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6534 |
| logD: | 2.6534 |
| logSw: | -3.5733 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.229 |
| InChI Key: | VIVCWDIDBBAUIA-UHFFFAOYSA-N |