2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3,5-dimethylphenyl)acetamide
2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | M460-1444 |
| Compound Name: | 2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C21 H26 N6 O2 |
| Smiles: | Cc1cc(C)cc(c1)NC(CN1C(N2C=CN=C(C2=N1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8432 |
| logD: | 2.8432 |
| logSw: | -3.0141 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.54 |
| InChI Key: | IUBOCQPWAJEYFP-UHFFFAOYSA-N |