5-(3-bromo-4-fluorophenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Chemical Structure Depiction of
5-(3-bromo-4-fluorophenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
5-(3-bromo-4-fluorophenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D392-0443 |
| Compound Name: | 5-(3-bromo-4-fluorophenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione |
| Molecular Weight: | 408.25 |
| Molecular Formula: | C16 H11 Br F N3 O2 S |
| Smiles: | C#CCSC1NC(C2C(CC(NC=2N=1)=O)c1ccc(c(c1)[Br])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9235 |
| logD: | 1.9058 |
| logSw: | -2.7955 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.14 |
| InChI Key: | QKMSHNQQGZKNBK-VIFPVBQESA-N |