5-(3-bromo-4-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Chemical Structure Depiction of
5-(3-bromo-4-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
5-(3-bromo-4-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D392-0100 |
| Compound Name: | 5-(3-bromo-4-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione |
| Molecular Weight: | 474.35 |
| Molecular Formula: | C21 H17 Br F N3 O2 S |
| Smiles: | Cc1ccc(CSC2NC(C3C(CC(NC=3N=2)=O)c2ccc(c(c2)[Br])F)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3172 |
| logD: | 3.3073 |
| logSw: | -3.5683 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.868 |
| InChI Key: | ROPOJSOJFUSNQP-AWEZNQCLSA-N |