3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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: | F830-0567 |
| Compound Name: | 3-(4-methoxyphenyl)-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: | 447.47 |
| Molecular Formula: | C21 H17 N7 O3 S |
| Smiles: | COc1ccc(cc1)n1c2c(C(N(Cc3nc(c4ccc(cc4)SC)no3)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.4666 |
| logD: | 3.4666 |
| logSw: | -3.7652 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 92.045 |
| InChI Key: | JEJSSFMMQTUVJX-UHFFFAOYSA-N |