1-methyl-2-[(prop-2-en-1-yl)sulfanyl]-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
1-methyl-2-[(prop-2-en-1-yl)sulfanyl]-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
1-methyl-2-[(prop-2-en-1-yl)sulfanyl]-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D392-0905 |
| Compound Name: | 1-methyl-2-[(prop-2-en-1-yl)sulfanyl]-5-{4-[(prop-2-yn-1-yl)oxy]phenyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | CN1C2=C(C(CC(N2)=O)c2ccc(cc2)OCC#C)C(N=C1SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0757 |
| logD: | 1.9757 |
| logSw: | -2.8546 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.771 |
| InChI Key: | GWLBSVAFQFGJRO-HNNXBMFYSA-N |