2-(3-methylphenyl)-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-methylphenyl)-7-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(3-methylphenyl)-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: | G768-0198 |
| Compound Name: | 2-(3-methylphenyl)-7-{[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C26 H25 N5 O2 S |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)C(/C=C/c3ccccc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.3567 |
| logD: | 3.3532 |
| logSw: | -3.5629 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.932 |
| InChI Key: | IIUJWFFPOQJAMV-UHFFFAOYSA-N |