N-(3,5-dimethoxyphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
N-(3,5-dimethoxyphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G802-0049 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 455.47 |
| Molecular Formula: | C21 H18 F N5 O4 S |
| Smiles: | COc1cc(cc(c1)OC)NC(CSc1nnc2C(N(C=Cn12)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9655 |
| logD: | 1.9654 |
| logSw: | -2.7951 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.939 |
| InChI Key: | BICRUKFSGGYNKS-UHFFFAOYSA-N |