N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(4-chlorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(4-chlorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(4-chlorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
Compound characteristics
| Compound ID: | G423-0138 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(4-chlorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide |
| Molecular Weight: | 465.89 |
| Molecular Formula: | C23 H20 Cl N5 O4 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)Cc1nnc2C(N(C=Cn12)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4165 |
| logD: | 1.4165 |
| logSw: | -2.7154 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.684 |
| InChI Key: | NYLMAECLJOENRK-UHFFFAOYSA-N |