6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-3-[2-oxo-2-(piperidin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-3-[2-oxo-2-(piperidin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4(3H)-one
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-3-[2-oxo-2-(piperidin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K847-0373 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-3-[2-oxo-2-(piperidin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 537.64 |
| Molecular Formula: | C27 H31 N5 O5 S |
| Smiles: | Cc1c2C(N(CC(N3CCCCC3)=O)C=Nc2sc1C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7239 |
| logD: | 1.5391 |
| logSw: | -2.4829 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.938 |
| InChI Key: | YRRHAYCIQCMJGC-UHFFFAOYSA-N |