methyl 2-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate
Chemical Structure Depiction of
methyl 2-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate
methyl 2-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | C561-0847 |
| Compound Name: | methyl 2-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate |
| Molecular Weight: | 462.94 |
| Molecular Formula: | C25 H23 Cl N4 O3 |
| Smiles: | Cc1c(CCC(Nc2ccccc2C(=O)OC)=O)c(C)n2c(cc(c3ccc(cc3)[Cl])n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7084 |
| logD: | 4.6652 |
| logSw: | -4.8191 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.075 |
| InChI Key: | MXHGZRKOPHERGT-UHFFFAOYSA-N |