2-(3-methoxyphenyl)-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-methoxyphenyl)-7-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(3-methoxyphenyl)-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: | G768-0908 |
| Compound Name: | 2-(3-methoxyphenyl)-7-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C26 H25 N5 O3 S |
| Smiles: | COc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)C(/C=C/c3ccccc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.0478 |
| logD: | 3.0439 |
| logSw: | -3.3689 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.476 |
| InChI Key: | FIDCFIQGZZBTFM-UHFFFAOYSA-N |