methyl 2-[2-({4-oxo-3-[(pyridin-2-yl)methyl]-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({4-oxo-3-[(pyridin-2-yl)methyl]-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({4-oxo-3-[(pyridin-2-yl)methyl]-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | K292-1983 |
| Compound Name: | methyl 2-[2-({4-oxo-3-[(pyridin-2-yl)methyl]-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C22 H18 N4 O4 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccsc2C(N1Cc1ccccn1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.825 |
| logD: | 2.8167 |
| logSw: | -3.5803 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.958 |
| InChI Key: | MBMRHNZKFCERBQ-UHFFFAOYSA-N |