5-(2,4-dimethylphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Chemical Structure Depiction of
5-(2,4-dimethylphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
5-(2,4-dimethylphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D271-0102 |
| Compound Name: | 5-(2,4-dimethylphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | Cc1ccc(C2CC(NC3=C2C(NC(=N3)SCC#C)=O)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3978 |
| logD: | 2.3801 |
| logSw: | -2.7925 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.14 |
| InChI Key: | QXEHWGNQNIESLL-CYBMUJFWSA-N |