5-(3,4-diethoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Chemical Structure Depiction of
5-(3,4-diethoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
5-(3,4-diethoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D392-0436 |
| Compound Name: | 5-(3,4-diethoxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | CCOc1ccc(cc1OCC)C1CC(NC2=C1C(NC(=N2)SCC#C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4368 |
| logD: | 1.4191 |
| logSw: | -2.5495 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.56 |
| InChI Key: | JXXSCEITIUEJJW-CYBMUJFWSA-N |