N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | C096-0176 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 504.58 |
| Molecular Formula: | C22 H24 N4 O6 S2 |
| Smiles: | Cc1c(c2C(N(CC(Nc3ccc4c(c3)OCCO4)=O)C=Nc2s1)=O)S(N1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1709 |
| logD: | 1.1708 |
| logSw: | -2.5359 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.925 |
| InChI Key: | HTRMEDKVNUPOKF-UHFFFAOYSA-N |