methyl 2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-5-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-5-methylthiophene-3-carboxylate
methyl 2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-5-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-1636 |
| Compound Name: | methyl 2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-5-methylthiophene-3-carboxylate |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C20 H20 N4 O5 S |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2C(Nc2c(cc(C)s2)C(=O)OC)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3691 |
| logD: | 0.305 |
| logSw: | -3.8779 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.359 |
| InChI Key: | OTVNBXBEWMHUGR-UHFFFAOYSA-N |