ethyl 4-{[5-(4-nitrophenyl)-3H-imidazo[1,2-b][1,2,4]triazol-6-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[5-(4-nitrophenyl)-3H-imidazo[1,2-b][1,2,4]triazol-6-yl]amino}benzoate
ethyl 4-{[5-(4-nitrophenyl)-3H-imidazo[1,2-b][1,2,4]triazol-6-yl]amino}benzoate
Compound characteristics
| Compound ID: | J008-0540 |
| Compound Name: | ethyl 4-{[5-(4-nitrophenyl)-3H-imidazo[1,2-b][1,2,4]triazol-6-yl]amino}benzoate |
| Molecular Weight: | 392.37 |
| Molecular Formula: | C19 H16 N6 O4 |
| Smiles: | CCOC(c1ccc(cc1)Nc1c(c2ccc(cc2)[N+]([O-])=O)nc2[nH]cnn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6001 |
| logD: | 3.4483 |
| logSw: | -3.7188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.977 |
| InChI Key: | PFOSEFORBZQNOV-UHFFFAOYSA-N |