4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
Chemical Structure Depiction of
4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | G423-0053 |
| Compound Name: | 4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C23 H22 F N5 O3 |
| Smiles: | COc1cccc(CNC(CCCc2nnc3C(N(C=Cn23)c2cccc(c2)F)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.0966 |
| logD: | 1.0966 |
| logSw: | -1.9021 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.112 |
| InChI Key: | YGLDHSNPNCSIBR-UHFFFAOYSA-N |