methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate
methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6228-1632 |
| Compound Name: | methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 431.94 |
| Molecular Formula: | C21 H22 Cl N3 O3 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2cccc(Cn3c(C)c(c(C)n3)[Cl])c2)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.8981 |
| logD: | -0.316 |
| logSw: | -4.9256 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.58 |
| InChI Key: | JERQRFIZAQEAQL-UHFFFAOYSA-N |