4-{[(3-bromophenyl)methyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[(3-bromophenyl)methyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[(3-bromophenyl)methyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-1159 |
| Compound Name: | 4-{[(3-bromophenyl)methyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 431.28 |
| Molecular Formula: | C18 H12 Br F N4 O S |
| Smiles: | C(c1cccc(c1)[Br])SC1=NC(c2cccc(c2)F)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1332 |
| logD: | 4.1332 |
| logSw: | -4.3297 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.933 |
| InChI Key: | IWHFVDPWBURFLB-UHFFFAOYSA-N |