methyl 2-{2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamido}benzoate
methyl 2-{2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C096-0477 |
| Compound Name: | methyl 2-{2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamido}benzoate |
| Molecular Weight: | 518.61 |
| Molecular Formula: | C23 H26 N4 O6 S2 |
| Smiles: | CC1CCN(CC1)S(c1c2C(N(CC(Nc3ccccc3C(=O)OC)=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3969 |
| logD: | 2.3869 |
| logSw: | -3.0531 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.578 |
| InChI Key: | FIVDCSLBALWPJU-UHFFFAOYSA-N |