N-(4-butylphenyl)-2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-butylphenyl)-2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(4-butylphenyl)-2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P032-3074 |
| Compound Name: | N-(4-butylphenyl)-2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C23 H24 N6 O2 |
| Smiles: | CCCCc1ccc(cc1)NC(CN1C(N2C(C)=NC(=CC2=N1)c1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9771 |
| logD: | 3.9688 |
| logSw: | -3.8984 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.187 |
| InChI Key: | AUDWDQURGUPSAS-UHFFFAOYSA-N |