5-(3,4-dihydroxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Chemical Structure Depiction of
5-(3,4-dihydroxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
5-(3,4-dihydroxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D271-0010 |
| Compound Name: | 5-(3,4-dihydroxyphenyl)-2-{[(2-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: | Cc1ccccc1CSC1NC(C2C(CC(NC=2N=1)=O)c1ccc(c(c1)O)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2845 |
| logD: | 2.2669 |
| logSw: | -2.5624 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 90.965 |
| InChI Key: | NRRMKOWADFQDQY-CQSZACIVSA-N |