N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
Compound characteristics
| Compound ID: | G423-0250 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C25 H25 N5 O4 |
| Smiles: | Cc1cc(C)cc(c1)N1C=Cn2c(CCCC(NCc3ccc4c(c3)OCO4)=O)nnc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.8964 |
| logD: | 1.8964 |
| logSw: | -2.4416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.684 |
| InChI Key: | IZINWCLGZCCHRM-UHFFFAOYSA-N |