N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | C066-1924 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 518.61 |
| Molecular Formula: | C23 H26 N4 O6 S2 |
| Smiles: | CC1CCN(CC1)S(c1c2C(N(CC(NCc3ccc4c(c3)OCO4)=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1632 |
| logD: | 2.1632 |
| logSw: | -2.9563 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.539 |
| InChI Key: | GHDFYMPEGPGFIY-UHFFFAOYSA-N |