2-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0960 |
| Compound Name: | 2-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 419.82 |
| Molecular Formula: | C18 H18 Cl N5 O5 |
| Smiles: | CCOc1ccc(c(c1)Nc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.4001 |
| logD: | 4.4001 |
| logSw: | -4.6457 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.719 |
| InChI Key: | IYEQSQJWAFKZHP-UHFFFAOYSA-N |