2-phenyl-7-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-phenyl-7-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-phenyl-7-{[4-(2-phenylbutanoyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0061 |
| Compound Name: | 2-phenyl-7-{[4-(2-phenylbutanoyl)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: | CCC(C(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3833 |
| logD: | 3.3721 |
| logSw: | -3.5938 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.459 |
| InChI Key: | BSPCCJHRCZFGOD-JOCHJYFZSA-N |