ethyl 4-{[2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]amino}benzoate
ethyl 4-{[2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | C301-1165 |
| Compound Name: | ethyl 4-{[2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]amino}benzoate |
| Molecular Weight: | 403.78 |
| Molecular Formula: | C17 H14 Cl N5 O5 |
| Smiles: | CCOC(c1ccc(cc1)Nc1c(nn(c2cccc(c2)[Cl])[n+]1[O-])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2063 |
| logD: | 4.2063 |
| logSw: | -4.4561 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.837 |
| InChI Key: | DQUYGDGROGBWSH-UHFFFAOYSA-N |