2-[4-(2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)phenoxy]acetamide
Chemical Structure Depiction of
2-[4-(2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)phenoxy]acetamide
2-[4-(2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | D392-0800 |
| Compound Name: | 2-[4-(2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)phenoxy]acetamide |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C23 H21 F N4 O4 S |
| Smiles: | CN1C2=C(C(CC(N2)=O)c2ccc(cc2)OCC(N)=O)C(N=C1SCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9695 |
| logD: | 0.8695 |
| logSw: | -2.1797 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.969 |
| InChI Key: | KNRHTPMZSOUIEU-KRWDZBQOSA-N |