3-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}propanamide
Chemical Structure Depiction of
3-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}propanamide
3-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}propanamide
Compound characteristics
| Compound ID: | G298-0385 |
| Compound Name: | 3-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}propanamide |
| Molecular Weight: | 486.62 |
| Molecular Formula: | C28 H34 N6 O2 |
| Smiles: | CCN(CCCNC(CCc1nnc2C(N(C=Cn12)c1cc(C)cc(C)c1)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.805 |
| logD: | 2.7728 |
| logSw: | -3.0374 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.399 |
| InChI Key: | OGHRZBHKBLRJED-UHFFFAOYSA-N |