methyl 2-[2-({3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | K292-1241 |
| Compound Name: | methyl 2-[2-({3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 594.71 |
| Molecular Formula: | C29 H30 N4 O6 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccsc2C(N1CCCCCC(Nc1ccc(cc1)OC)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2929 |
| logD: | 4.2846 |
| logSw: | -4.1882 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.086 |
| InChI Key: | WDBWIXPYASITHT-UHFFFAOYSA-N |