methyl 2-[2-({3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | K292-0577 |
| Compound Name: | methyl 2-[2-({3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C24 H21 N3 O4 S2 |
| Smiles: | Cc1ccc(CN2C(=Nc3ccsc3C2=O)SCC(Nc2ccccc2C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5347 |
| logD: | 4.5263 |
| logSw: | -4.385 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.415 |
| InChI Key: | QXLICNFSGTWSRQ-UHFFFAOYSA-N |