7-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0932 |
| Compound Name: | 7-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-2-(4-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 495.99 |
| Molecular Formula: | C24 H22 Cl N5 O3 S |
| Smiles: | COc1ccc(cc1)C1=NN2C(=NC(CN3CCN(CC3)C(c3ccccc3[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.7068 |
| logD: | 2.7032 |
| logSw: | -3.7231 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.003 |
| InChI Key: | KXBGINZOCRHCAX-UHFFFAOYSA-N |