2-(benzylsulfanyl)-5-(3-bromo-4-fluorophenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-(3-bromo-4-fluorophenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
2-(benzylsulfanyl)-5-(3-bromo-4-fluorophenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D392-0611 |
| Compound Name: | 2-(benzylsulfanyl)-5-(3-bromo-4-fluorophenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
| Molecular Weight: | 474.35 |
| Molecular Formula: | C21 H17 Br F N3 O2 S |
| Smiles: | CN1C2=C(C(CC(N2)=O)c2ccc(c(c2)[Br])F)C(N=C1SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1591 |
| logD: | 3.059 |
| logSw: | -3.4064 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.082 |
| InChI Key: | RIAIMTMGACNOCF-AWEZNQCLSA-N |