2-(4-chlorophenyl)-7-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-7-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(4-chlorophenyl)-7-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0482 |
| Compound Name: | 2-(4-chlorophenyl)-7-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 492 |
| Molecular Formula: | C25 H22 Cl N5 O2 S |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1ccc(cc1)[Cl])=N2)=O)C(/C=C/c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6061 |
| logD: | 3.6027 |
| logSw: | -4.2642 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.932 |
| InChI Key: | JZLLULHXQUWDTI-UHFFFAOYSA-N |