3-{[(3-chlorophenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[(3-chlorophenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[(3-chlorophenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-1064 |
| Compound Name: | 3-{[(3-chlorophenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 410.92 |
| Molecular Formula: | C21 H19 Cl N4 O S |
| Smiles: | CC(C)c1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3315 |
| logD: | 4.3315 |
| logSw: | -4.6895 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.702 |
| InChI Key: | UKMNFXSMTGWIMM-UHFFFAOYSA-N |