3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidin-4-one
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | G595-0372 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7,8-dihydro-4H,6H-cyclopenta[4,5][1,3]thiazolo[3,2-a]pyrimidin-4-one |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | C1CC2=C(C1)SC1=NC=C(C(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3798 |
| logD: | 1.1375 |
| logSw: | -2.3729 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.294 |
| InChI Key: | LFXIXMDHVLSWHK-UHFFFAOYSA-N |