3-[(2-methylphenyl)methyl]-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-[(2-methylphenyl)methyl]-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-[(2-methylphenyl)methyl]-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: | F830-0057 |
| Compound Name: | 3-[(2-methylphenyl)methyl]-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: | 445.5 |
| Molecular Formula: | C22 H19 N7 O2 S |
| Smiles: | Cc1ccccc1Cn1c2c(C(N(Cc3nc(c4ccc(cc4)SC)no3)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.1679 |
| logD: | 4.1678 |
| logSw: | -4.2079 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 84.365 |
| InChI Key: | IODRDDSNJXJSAP-UHFFFAOYSA-N |