3-[(2,6-dibromo-4-nitrophenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-[(2,6-dibromo-4-nitrophenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
3-[(2,6-dibromo-4-nitrophenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6124 |
| Compound Name: | 3-[(2,6-dibromo-4-nitrophenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 448.02 |
| Molecular Formula: | C12 H8 Br2 N4 O5 |
| Smiles: | Cn1cc(C(O)=O)c(C(Nc2c(cc(cc2[Br])[N+]([O-])=O)[Br])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2668 |
| logD: | -1.9219 |
| logSw: | -2.6628 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.079 |
| InChI Key: | YLTWXUGBSWPGTR-UHFFFAOYSA-N |