3-benzyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
3-benzyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-benzyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | 8017-8456 |
| Compound Name: | 3-benzyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 367.4 |
| Molecular Formula: | C18 H14 F N5 O S |
| Smiles: | C(c1ccccc1)n1c2c(C(NC(=N2)SCc2ccc(cc2)F)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.6228 |
| logD: | 2.3932 |
| logSw: | -3.0026 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.184 |
| InChI Key: | KMGLDKQVUNEWJR-UHFFFAOYSA-N |