5-methyl-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-methyl-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-methyl-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D481-0165 |
| Compound Name: | 5-methyl-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 477.59 |
| Molecular Formula: | C24 H27 N7 O2 S |
| Smiles: | CC1=C(CCC(N2CCN(CC2)c2ccccc2)=O)C(n2c(N1)nc(NCc1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6571 |
| logD: | 2.6138 |
| logSw: | -3.0617 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.291 |
| InChI Key: | MYTSVQVYQAVBML-UHFFFAOYSA-N |