2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(3-ethoxy-4-hydroxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(3-ethoxy-4-hydroxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(3-ethoxy-4-hydroxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D271-0094 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(3-ethoxy-4-hydroxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione |
| Molecular Weight: | 457.93 |
| Molecular Formula: | C22 H20 Cl N3 O4 S |
| Smiles: | CCOc1cc(ccc1O)C1CC(NC2=C1C(NC(=N2)SCc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9508 |
| logD: | 2.9409 |
| logSw: | -3.5135 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.627 |
| InChI Key: | RZEBRHDCSLYMDD-OAHLLOKOSA-N |