3-benzyl-6-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
3-benzyl-6-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-benzyl-6-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0027 |
| Compound Name: | 3-benzyl-6-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C21 H17 N7 O2 S |
| Smiles: | CSc1ccc(cc1)c1nc(CN2C=Nc3c(C2=O)nnn3Cc2ccccc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.3769 |
| logD: | 3.3769 |
| logSw: | -3.6485 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 84.365 |
| InChI Key: | DMEZMFUCGGFXDW-UHFFFAOYSA-N |