methyl 2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate
methyl 2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-1209 |
| Compound Name: | methyl 2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2ccccc2Cn2c(C)c(c(C)n2)[N+]([O-])=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.4542 |
| logD: | -0.686 |
| logSw: | -4.0638 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.359 |
| InChI Key: | CXMZTQOXUWHFKS-UHFFFAOYSA-N |