2-(4-bromophenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
2-(4-bromophenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
2-(4-bromophenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | L926-0191 |
| Compound Name: | 2-(4-bromophenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 495.36 |
| Molecular Formula: | C21 H15 Br N6 O2 S |
| Smiles: | CSc1ccc(cc1)c1nc(CN2C(c3cc(c4ccc(cc4)[Br])nn3C=N2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.9368 |
| logD: | 4.9367 |
| logSw: | -4.7506 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.488 |
| InChI Key: | JQPDWLMOZYJPGL-UHFFFAOYSA-N |