2-(3-methylphenyl)-7-{[4-(3-phenylpropanoyl)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-phenylpropanoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(3-methylphenyl)-7-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0205 |
| Compound Name: | 2-(3-methylphenyl)-7-{[4-(3-phenylpropanoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 473.6 |
| Molecular Formula: | C26 H27 N5 O2 S |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)C(CCc3ccccc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.2438 |
| logD: | 3.2359 |
| logSw: | -3.4384 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.932 |
| InChI Key: | NGYJJXIAXORCAB-UHFFFAOYSA-N |