4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
Chemical Structure Depiction of
4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | G423-0663 |
| Compound Name: | 4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C25 H26 F N5 O3 |
| Smiles: | CC(C)(CC(NCc1ccc(cc1)OC)=O)Cc1nnc2C(N(C=Cn12)c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8182 |
| logD: | 1.8182 |
| logSw: | -2.1765 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.112 |
| InChI Key: | KKUMRPWEHSZWEQ-UHFFFAOYSA-N |