3-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)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-(4-methylpiperidin-1-yl)propyl]propanamide
3-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
Compound characteristics
| Compound ID: | C200-4740 |
| Compound Name: | 3-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C25 H34 N6 O2 |
| Smiles: | CC1CCN(CCCNC(CCc2nnc3C(N(C=Cn23)c2cc(C)cc(C)c2)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.3493 |
| logD: | -1.1688 |
| logSw: | -1.7751 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.392 |
| InChI Key: | BOXBGNPWWFVYMY-UHFFFAOYSA-N |