N-(4-acetamidophenyl)-2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(4-acetamidophenyl)-2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M460-1491 |
| Compound Name: | N-(4-acetamidophenyl)-2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H25 N7 O3 |
| Smiles: | CC(Nc1ccc(cc1)NC(CN1C(N2C=CN=C(C2=N1)N1CCCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3514 |
| logD: | 1.3514 |
| logSw: | -1.9992 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.802 |
| InChI Key: | OSRYJFKNSHIRHQ-UHFFFAOYSA-N |