2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-hydroxy-2-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-hydroxy-2-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-hydroxy-2-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D271-0234 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-hydroxy-2-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione |
| Molecular Weight: | 443.91 |
| Molecular Formula: | C21 H18 Cl N3 O4 S |
| Smiles: | COc1cc(ccc1C1CC(NC2=C1C(NC(=N2)SCc1ccccc1[Cl])=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7758 |
| logD: | 2.7659 |
| logSw: | -3.2138 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.116 |
| InChI Key: | JCKAPABMCXOMSS-CQSZACIVSA-N |