2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0582 |
| Compound Name: | 2-(4-chlorophenyl)-N-(2-methoxyethyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 313.7 |
| Molecular Formula: | C11 H12 Cl N5 O4 |
| Smiles: | COCCNc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0765 |
| logD: | 2.0765 |
| logSw: | -2.8525 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.861 |
| InChI Key: | BICHUQOKNFUCOY-UHFFFAOYSA-N |