2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxy-4-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxy-4-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxy-4-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D392-0125 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxy-4-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: | COc1ccc(cc1O)C1CC(NC2=C1C(NC(=N2)SCc1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.598 |
| logD: | 2.5812 |
| logSw: | -3.357 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.047 |
| InChI Key: | VXQNHJRQEJFQPO-CYBMUJFWSA-N |