5-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D475-1596 |
| Compound Name: | 5-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 372.45 |
| Molecular Formula: | C17 H20 N6 O2 S |
| Smiles: | CC1=CC(n2c(nc(c3cccs3)n2)N1CC(N1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8266 |
| logD: | 0.6959 |
| logSw: | -1.8253 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.233 |
| InChI Key: | URQWXLKXLYAKPL-UHFFFAOYSA-N |