2-{[3-(3-methylphenyl)-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-(3-methylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[3-(3-methylphenyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-3019 |
| Compound Name: | 2-{[3-(3-methylphenyl)-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: | Cc1cccc(c1)N1C(=Nc2c3ccccc3oc2C1=O)SCC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.722 |
| logD: | 5.722 |
| logSw: | -5.6583 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.204 |
| InChI Key: | GYBIECXABVZMPW-UHFFFAOYSA-N |