2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G802-0059 |
| Compound Name: | 2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C21 H18 F N5 O3 S |
| Smiles: | COc1cccc(CNC(CSc2nnc3C(N(C=Cn23)c2cccc(c2)F)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.6051 |
| logD: | 1.6051 |
| logSw: | -2.3463 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.717 |
| InChI Key: | IBNWGZPPHCETRM-UHFFFAOYSA-N |