3-[(3-methoxyphenyl)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-[(3-methoxyphenyl)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-[(3-methoxyphenyl)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: | F830-0387 |
| Compound Name: | 3-[(3-methoxyphenyl)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: | 461.5 |
| Molecular Formula: | C22 H19 N7 O3 S |
| Smiles: | COc1cccc(Cn2c3c(C(N(Cc4nc(c5ccc(cc5)SC)no4)C=N3)=O)nn2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4322 |
| logD: | 3.4322 |
| logSw: | -3.8793 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 91.909 |
| InChI Key: | LRZWKRHQZZZPCF-UHFFFAOYSA-N |