methyl 2-{3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate
Chemical Structure Depiction of
methyl 2-{3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate
methyl 2-{3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | C561-0736 |
| Compound Name: | methyl 2-{3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C26 H25 F N4 O3 |
| Smiles: | Cc1c(CCC(Nc2ccccc2C(=O)OC)=O)c(C)n2c(c(c3ccc(cc3)F)c(C)n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8852 |
| logD: | 3.8484 |
| logSw: | -4.3723 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.198 |
| InChI Key: | SLKIXCKRKUPCKL-UHFFFAOYSA-N |