methyl 2-(2-{[3-(3,4-dimethylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[3-(3,4-dimethylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[3-(3,4-dimethylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K292-1049 |
| Compound Name: | methyl 2-(2-{[3-(3,4-dimethylphenyl)-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(cc1C)N1C(=Nc2ccsc2C1=O)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7681 |
| logD: | 4.7614 |
| logSw: | -4.5629 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.803 |
| InChI Key: | YYGMKNHTVAFZPU-UHFFFAOYSA-N |