5-(3,4-dihydroxyphenyl)-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-dihydroxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
5-(3,4-dihydroxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D271-0005 |
| Compound Name: | 5-(3,4-dihydroxyphenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione |
| Molecular Weight: | 343.36 |
| Molecular Formula: | C16 H13 N3 O4 S |
| Smiles: | C#CCSC1NC(C2C(CC(NC=2N=1)=O)c1ccc(c(c1)O)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2365 |
| logD: | 0.2188 |
| logSw: | -2.172 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.236 |
| InChI Key: | XSSROIBLNCANNT-SECBINFHSA-N |