4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethyl-N-[(4-methylphenyl)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]-3,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | G423-0673 |
| Compound Name: | 4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C25 H26 F N5 O2 |
| Smiles: | Cc1ccc(CNC(CC(C)(C)Cc2nnc3C(N(C=Cn23)c2cccc(c2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2592 |
| logD: | 2.2592 |
| logSw: | -2.7171 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.568 |
| InChI Key: | RJXDIBQVDKLYCO-UHFFFAOYSA-N |