methyl N-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoyl}valinate
Chemical Structure Depiction of
methyl N-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoyl}valinate
methyl N-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoyl}valinate
Compound characteristics
| Compound ID: | C561-1188 |
| Compound Name: | methyl N-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoyl}valinate |
| Molecular Weight: | 442.94 |
| Molecular Formula: | C23 H27 Cl N4 O3 |
| Smiles: | CC(C)C(C(=O)OC)NC(CCc1c(C)nc2cc(c3ccc(cc3)[Cl])nn2c1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3611 |
| logD: | 4.3529 |
| logSw: | -4.5416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.718 |
| InChI Key: | NCOKDEMIFAIRFI-QFIPXVFZSA-N |