7-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
7-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
7-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0177 |
| Compound Name: | 7-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C21 H17 F N4 O2 S |
| Smiles: | Cc1ccc(C(CSC2=NNC(c3cc(c4ccc(cc4)F)nn23)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7625 |
| logD: | 4.7596 |
| logSw: | -4.529 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.561 |
| InChI Key: | ORJKNXWFEXHMHD-UHFFFAOYSA-N |