7-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0067 |
| Compound Name: | 7-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C23 H23 N5 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9003 |
| logD: | 2.8987 |
| logSw: | -3.2806 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.522 |
| InChI Key: | ZWPUGTNFJVTIQQ-UHFFFAOYSA-N |