2-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0388 |
| Compound Name: | 2-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 335.7 |
| Molecular Formula: | C13 H10 Cl N5 O4 |
| Smiles: | C(c1ccco1)Nc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9113 |
| logD: | 2.9113 |
| logSw: | -3.556 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.154 |
| InChI Key: | QLSOKZKBXWVWBO-UHFFFAOYSA-N |