ethyl 4-{[2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]amino}benzoate
ethyl 4-{[2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | C301-0573 |
| Compound Name: | ethyl 4-{[2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]amino}benzoate |
| Molecular Weight: | 399.36 |
| Molecular Formula: | C18 H17 N5 O6 |
| Smiles: | CCOC(c1ccc(cc1)Nc1c(nn(c2ccc(cc2)OC)[n+]1[O-])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5799 |
| logD: | 3.5799 |
| logSw: | -3.6392 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.381 |
| InChI Key: | BYADIDJPBCFZFT-UHFFFAOYSA-N |