5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-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-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D392-0391 |
| Compound Name: | 5-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C20 H17 N3 O4 S |
| Smiles: | COc1cc(ccc1OCC#C)C1CC(NC2=C1C(NC(=N2)SCC#C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1515 |
| logD: | 1.1338 |
| logSw: | -2.4222 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.275 |
| InChI Key: | DRQPAXZUMJJFCU-CYBMUJFWSA-N |