methyl 3-nitro-5-[(4H-1,2,4-triazol-4-yl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-[(4H-1,2,4-triazol-4-yl)carbamoyl]benzoate
methyl 3-nitro-5-[(4H-1,2,4-triazol-4-yl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | Y032-0109 |
| Compound Name: | methyl 3-nitro-5-[(4H-1,2,4-triazol-4-yl)carbamoyl]benzoate |
| Molecular Weight: | 291.22 |
| Molecular Formula: | C11 H9 N5 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nn1cnnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3276 |
| logD: | 0.3276 |
| logSw: | -1.6047 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.747 |
| InChI Key: | WNVRMXOEZDLNPF-UHFFFAOYSA-N |