2-({3-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide
2-({3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-3015 |
| Compound Name: | 2-({3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 501.63 |
| Molecular Formula: | C27 H23 N3 O3 S2 |
| Smiles: | Cc1ccc(CN2C(=Nc3c4ccccc4oc3C2=O)SCC(Nc2cccc(c2)SC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1226 |
| logD: | 6.1226 |
| logSw: | -5.5917 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.816 |
| InChI Key: | LKHHDYBILUQOIQ-UHFFFAOYSA-N |