methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}benzoate
Chemical Structure Depiction of
methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}benzoate
methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}benzoate
Compound characteristics
| Compound ID: | 6228-1129 |
| Compound Name: | methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}benzoate |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C21 H20 Cl N3 O3 |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(Nc2ccccc2C(=O)OC)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5422 |
| logD: | 2.8172 |
| logSw: | -4.3022 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.088 |
| InChI Key: | SNAHGXIIRCIAQJ-UHFFFAOYSA-N |