6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(pyrrolidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(pyrrolidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(pyrrolidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G205-0791 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(pyrrolidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C22 H24 N6 O4 S |
| Smiles: | C1CCN(C1)C1=NN2C(=NC=C(C(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.5972 |
| logD: | 1.3549 |
| logSw: | -2.4926 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.497 |
| InChI Key: | SFEOSBSZTHFFPX-UHFFFAOYSA-N |