4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D475-1591 |
| Compound Name: | 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C18 H22 N6 O2 S |
| Smiles: | CCN1CCN(CC1)C(CN1C(C)=CC(n2c1nc(c1cccs1)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1714 |
| logD: | 0.9952 |
| logSw: | -2.1825 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.293 |
| InChI Key: | RMTTVVCFAFEBIF-UHFFFAOYSA-N |