7-({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methylpyrazolo[1,5-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
7-({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methylpyrazolo[1,5-a]pyrimidin-5(4H)-one
7-({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methylpyrazolo[1,5-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | Y504-5577 |
| Compound Name: | 7-({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methylpyrazolo[1,5-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 370.41 |
| Molecular Formula: | C17 H15 F N6 O S |
| Smiles: | Cc1cc2NC(C=C(CSc3nnc(c4ccc(cc4)F)n3C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0304 |
| logD: | 2.0002 |
| logSw: | -2.6973 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.985 |
| InChI Key: | OXNFSTUBCRVFRI-UHFFFAOYSA-N |