2-[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
2-[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K292-0096 |
| Compound Name: | 2-[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C22 H18 Cl N3 O2 S2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2ccsc2C(N1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7769 |
| logD: | 5.7768 |
| logSw: | -5.9031 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.939 |
| InChI Key: | KJYYOPPMXWXQCZ-UHFFFAOYSA-N |