5-(3-bromo-4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
5-(3-bromo-4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
5-(3-bromo-4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D392-0793 |
| Compound Name: | 5-(3-bromo-4-fluorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
| Molecular Weight: | 492.34 |
| Molecular Formula: | C21 H16 Br F2 N3 O2 S |
| Smiles: | CN1C2=C(C(CC(N2)=O)c2ccc(c(c2)[Br])F)C(N=C1SCc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7232 |
| logD: | 3.6232 |
| logSw: | -3.9599 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.082 |
| InChI Key: | HSEMVXOUYPQHSV-ZDUSSCGKSA-N |