2-(3-fluorophenyl)-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-(3-fluorophenyl)-7-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(3-fluorophenyl)-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: | G768-0624 |
| Compound Name: | 2-(3-fluorophenyl)-7-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C25 H22 F N5 O2 S |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1cccc(c1)F)=N2)=O)C(/C=C/c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1084 |
| logD: | 3.1049 |
| logSw: | -3.3243 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.932 |
| InChI Key: | SDVRRELQVNSBLY-UHFFFAOYSA-N |