3-{[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-{[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
3-{[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8201 |
| Compound Name: | 3-{[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 364.31 |
| Molecular Formula: | C15 H16 N4 O7 |
| Smiles: | Cn1cc(C(O)=O)c(C(NC(CO)C(c2ccc(cc2)[N+]([O-])=O)O)=O)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1166 |
| logD: | -3.8923 |
| logSw: | -2.0891 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 134.227 |
| InChI Key: | SPMLWKMVSCZMMW-UHFFFAOYSA-N |