2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(2,3-difluorophenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(2,3-difluorophenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(2,3-difluorophenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D271-0639 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(2,3-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)c2cccc(c2F)F)C(N=C1SCc1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8265 |
| logD: | 3.7554 |
| logSw: | -4.2412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.082 |
| InChI Key: | VKSVQEAAYUUZQA-AWEZNQCLSA-N |