7-(3-chloro-2-methylphenyl)-3-{[(4-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(3-chloro-2-methylphenyl)-3-{[(4-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3-chloro-2-methylphenyl)-3-{[(4-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0831 |
| Compound Name: | 7-(3-chloro-2-methylphenyl)-3-{[(4-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C19 H14 Cl F N4 O S |
| Smiles: | Cc1c(cccc1[Cl])N1C=Cn2c(C1=O)nnc2SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.2079 |
| logD: | 3.2079 |
| logSw: | -3.4582 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.401 |
| InChI Key: | BXIWYECVWCZLBB-UHFFFAOYSA-N |