5-(3,4-dihydroxyphenyl)-1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
5-(3,4-dihydroxyphenyl)-1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
5-(3,4-dihydroxyphenyl)-1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D271-0394 |
| Compound Name: | 5-(3,4-dihydroxyphenyl)-1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | Cc1ccc(CSC2=NC(C3C(CC(NC=3N2C)=O)c2ccc(c(c2)O)O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8954 |
| logD: | 1.7954 |
| logSw: | -2.5565 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.178 |
| InChI Key: | KEJIYYCTMXPNPG-HNNXBMFYSA-N |