methyl 3-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4-methylbenzoate
methyl 3-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4-methylbenzoate
Compound characteristics
| Compound ID: | Y502-2214 |
| Compound Name: | methyl 3-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4-methylbenzoate |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C22 H22 N4 O5 |
| Smiles: | Cc1ccc(cc1NC(c1ccccc1Cn1c(C)c(c(C)n1)[N+]([O-])=O)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4264 |
| logD: | 3.4251 |
| logSw: | -3.8718 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.867 |
| InChI Key: | QCHHVKCMBUYPBK-UHFFFAOYSA-N |