methyl 2-[2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | K292-0698 |
| Compound Name: | methyl 2-[2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C24 H19 N3 O6 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccsc2C(N1Cc1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9825 |
| logD: | 3.9742 |
| logSw: | -4.139 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.53 |
| InChI Key: | JUQKBNKYKBGVBO-UHFFFAOYSA-N |