5-(3,4-dihydroxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Chemical Structure Depiction of
5-(3,4-dihydroxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
5-(3,4-dihydroxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D271-0009 |
| Compound Name: | 5-(3,4-dihydroxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | Cc1cccc(CSC2NC(C3C(CC(NC=3N=2)=O)c2ccc(c(c2)O)O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1309 |
| logD: | 2.1133 |
| logSw: | -2.6029 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 90.965 |
| InChI Key: | WWMKAKGTRKQLMR-CQSZACIVSA-N |