methyl 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]benzoate
methyl 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 6228-1210 |
| Compound Name: | methyl 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]benzoate |
| Molecular Weight: | 305.25 |
| Molecular Formula: | C12 H11 N5 O5 |
| Smiles: | COC(c1ccccc1NC(Cn1cnc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0479 |
| logD: | 1.0318 |
| logSw: | -2.5295 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.26 |
| InChI Key: | JPBPUEHTGCHBIC-UHFFFAOYSA-N |