methyl 2-[2-({3-[(2-fluorophenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({3-[(2-fluorophenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({3-[(2-fluorophenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | K292-0547 |
| Compound Name: | methyl 2-[2-({3-[(2-fluorophenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 483.54 |
| Molecular Formula: | C23 H18 F N3 O4 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccsc2C(N1Cc1ccccc1F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2517 |
| logD: | 4.2434 |
| logSw: | -4.3104 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.415 |
| InChI Key: | INMJJOCRQBKAGI-UHFFFAOYSA-N |