3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-5-(chloromethyl)-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-5-(chloromethyl)-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-5-(chloromethyl)-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | C201-0624 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-5-(chloromethyl)-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 417.83 |
| Molecular Formula: | C17 H12 Cl N5 O4 S |
| Smiles: | CSc1c(c2NC(C[Cl])=CC(n2n1)=O)c1nc(c2ccc3c(c2)OCO3)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.3308 |
| logD: | 3.2129 |
| logSw: | -3.8688 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.156 |
| InChI Key: | FNGHVJQMXFAPOT-UHFFFAOYSA-N |