3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-1051 |
| Compound Name: | 3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-7-[4-(propan-2-yl)phenyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)C(CSc1nnc2C(N(C=Cn12)c1ccc(cc1)C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5702 |
| logD: | 3.5702 |
| logSw: | -3.6455 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.073 |
| InChI Key: | BUGQTUMTNGFHCT-UHFFFAOYSA-N |