2-(3-benzyl-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(3-benzyl-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
2-(3-benzyl-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C688-1129 |
| Compound Name: | 2-(3-benzyl-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C26 H21 N3 O3 S2 |
| Smiles: | CSc1cccc(c1)NC(CN1C(N(Cc2ccccc2)C(c2c1c1ccccc1s2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6656 |
| logD: | 5.6656 |
| logSw: | -5.6598 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.32 |
| InChI Key: | NYRVLMMUVXDOSJ-UHFFFAOYSA-N |