methyl 4-{2-[(3-methyl-4-oxo-6-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(3-methyl-4-oxo-6-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(3-methyl-4-oxo-6-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | L459-0151 |
| Compound Name: | methyl 4-{2-[(3-methyl-4-oxo-6-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C23 H19 N3 O4 S2 |
| Smiles: | CN1C(=Nc2cc(c3ccccc3)sc2C1=O)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4154 |
| logD: | 4.4153 |
| logSw: | -4.2786 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.878 |
| InChI Key: | OFFLVIXDQWBCQA-UHFFFAOYSA-N |