methyl [(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]acetate
methyl [(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D724-0213 |
| Compound Name: | methyl [(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]acetate |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C17 H17 N3 O2 S |
| Smiles: | Cc1cc(n2c(c(c3ccccc3)c(C)n2)n1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7574 |
| logD: | 2.7507 |
| logSw: | -3.1117 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.127 |
| InChI Key: | KHZFKMLNPPRHPK-UHFFFAOYSA-N |