N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | G423-0574 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide |
| Molecular Weight: | 463.47 |
| Molecular Formula: | C24 H22 F N5 O4 |
| Smiles: | CC(CC(NCc1ccc2c(c1)OCO2)=O)Cc1nnc2C(N(C=Cn12)c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7719 |
| logD: | 1.7719 |
| logSw: | -2.3219 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.684 |
| InChI Key: | DHVIXKCBYQEQNP-OAHLLOKOSA-N |