2-(3-chlorophenyl)-5-nitro-3-oxo-N-(2-phenylethyl)-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
2-(3-chlorophenyl)-5-nitro-3-oxo-N-(2-phenylethyl)-2H-1,2,3lambda~5~-triazol-4-amine
2-(3-chlorophenyl)-5-nitro-3-oxo-N-(2-phenylethyl)-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1134 |
| Compound Name: | 2-(3-chlorophenyl)-5-nitro-3-oxo-N-(2-phenylethyl)-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 359.77 |
| Molecular Formula: | C16 H14 Cl N5 O3 |
| Smiles: | C(CNc1c(nn(c2cccc(c2)[Cl])[n+]1[O-])[N+]([O-])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5313 |
| logD: | 3.5313 |
| logSw: | -3.7804 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.247 |
| InChI Key: | BSOIETFQLQQPJI-UHFFFAOYSA-N |