2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,5-difluorophenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,5-difluorophenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,5-difluorophenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
Compound ID: | D271-0670 |
Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(2,5-difluorophenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
Molecular Weight: | 447.89 |
Molecular Formula: | C21 H16 Cl F2 N3 O2 S |
Smiles: | CN1C2=C(C(CC(N2)=O)c2cc(ccc2F)F)C(N=C1SCc1ccccc1[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8262 |
logD: | 3.7551 |
logSw: | -4.1403 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.082 |
InChI Key: | NMJQBQKTHMMGHQ-AWEZNQCLSA-N |