4-({4-oxo-3-[3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl}methyl)benzonitrile
Chemical Structure Depiction of
4-({4-oxo-3-[3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl}methyl)benzonitrile
4-({4-oxo-3-[3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | S410-0896 |
| Compound Name: | 4-({4-oxo-3-[3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl}methyl)benzonitrile |
| Molecular Weight: | 403.42 |
| Molecular Formula: | C19 H13 N7 O2 S |
| Smiles: | C1Cn2c(C(N1Cc1ccc(C#N)cc1)=O)c(c1nc(c3ccsc3)no1)nn2 |
| Stereo: | ACHIRAL |
| logP: | 2.0288 |
| logD: | 2.0288 |
| logSw: | -2.4286 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 92.309 |
| InChI Key: | MJDJDMOAGAUJOF-UHFFFAOYSA-N |