2-{[(2-fluorophenyl)methyl]sulfanyl}-5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D392-0775 |
| Compound Name: | 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C25 H22 F N3 O4 S |
| Smiles: | CN1C2=C(C(CC(N2)=O)c2ccc(c(c2)OC)OCC#C)C(N=C1SCc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9512 |
| logD: | 2.8512 |
| logSw: | -3.4064 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.217 |
| InChI Key: | WKXIGRJSGQWEJD-KRWDZBQOSA-N |