2-({3-[(4-fluorophenyl)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-fluorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide
2-({3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-3012 |
| Compound Name: | 2-({3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C26 H20 F N3 O3 S2 |
| Smiles: | CSc1cccc(c1)NC(CSC1=Nc2c3ccccc3oc2C(N1Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7283 |
| logD: | 5.7283 |
| logSw: | -5.6724 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.816 |
| InChI Key: | IKALSPRKDIPPBB-UHFFFAOYSA-N |