2-(4-chlorophenyl)-7-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-7-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(4-chlorophenyl)-7-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0262 |
| Compound Name: | 2-(4-chlorophenyl)-7-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 516.04 |
| Molecular Formula: | C23 H22 Cl N5 O3 S2 |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1ccc(cc1)[Cl])=N2)=O)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7761 |
| logD: | 2.7748 |
| logSw: | -3.4297 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.416 |
| InChI Key: | UKIIWJQMKWLVAI-UHFFFAOYSA-N |