benzyl 4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]benzoate
Chemical Structure Depiction of
benzyl 4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]benzoate
benzyl 4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]benzoate
Compound characteristics
| Compound ID: | 8016-8736 |
| Compound Name: | benzyl 4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]benzoate |
| Molecular Weight: | 354.32 |
| Molecular Formula: | C17 H14 N4 O5 |
| Smiles: | Cn1c(nc(n1)[N+]([O-])=O)Oc1ccc(cc1)C(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4165 |
| logD: | 3.4165 |
| logSw: | -3.6678 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.796 |
| InChI Key: | ABJGGBUEMYASRO-UHFFFAOYSA-N |