2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(3-ethoxy-4-hydroxyphenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(3-ethoxy-4-hydroxyphenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(3-ethoxy-4-hydroxyphenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione
Compound characteristics
| Compound ID: | D271-0479 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(3-ethoxy-4-hydroxyphenyl)-1-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione |
| Molecular Weight: | 471.96 |
| Molecular Formula: | C23 H22 Cl N3 O4 S |
| Smiles: | CCOc1cc(ccc1O)C1CC(NC2=C1C(N=C(N2C)SCc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2161 |
| logD: | 3.116 |
| logSw: | -3.5475 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.84 |
| InChI Key: | RMYDHFZQCTVBRB-INIZCTEOSA-N |