methyl 2-(2-{[3-(4-chloro-3-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[3-(4-chloro-3-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[3-(4-chloro-3-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K292-0915 |
| Compound Name: | methyl 2-(2-{[3-(4-chloro-3-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 499.99 |
| Molecular Formula: | C23 H18 Cl N3 O4 S2 |
| Smiles: | Cc1cc(ccc1[Cl])N1C(=Nc2ccsc2C1=O)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0111 |
| logD: | 5.0043 |
| logSw: | -5.1079 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.803 |
| InChI Key: | UTDFQWDMHUSBRI-UHFFFAOYSA-N |