2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-3007 |
| Compound Name: | 2-[(3-benzyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C26 H21 N3 O3 S2 |
| Smiles: | CSc1cccc(c1)NC(CSC1=Nc2c3ccccc3oc2C(N1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6992 |
| logD: | 5.6992 |
| logSw: | -5.6711 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.816 |
| InChI Key: | RMBQMMJDGGSUMP-UHFFFAOYSA-N |