2-({3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)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-(trifluoromethyl)phenyl]acetamide
2-({3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-3010 |
| Compound Name: | 2-({3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 527.5 |
| Molecular Formula: | C26 H17 F4 N3 O3 S |
| Smiles: | C(c1ccc(cc1)F)N1C(=Nc2c3ccccc3oc2C1=O)SCC(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3106 |
| logD: | 6.3103 |
| logSw: | -6.3606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.816 |
| InChI Key: | HBAQXRLOKGQGNG-UHFFFAOYSA-N |