N-(3,5-dimethoxyphenyl)-4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
N-(3,5-dimethoxyphenyl)-4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
Compound characteristics
| Compound ID: | G423-0052 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C23 H22 F N5 O4 |
| Smiles: | COc1cc(cc(c1)OC)NC(CCCc1nnc2C(N(C=Cn12)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4381 |
| logD: | 1.4378 |
| logSw: | -2.0818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.333 |
| InChI Key: | RTYCPIYRNPHEGB-UHFFFAOYSA-N |