2-[4-(2-{[(3-chlorophenyl)methyl]sulfanyl}-1-methyl-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)phenoxy]acetamide
Chemical Structure Depiction of
2-[4-(2-{[(3-chlorophenyl)methyl]sulfanyl}-1-methyl-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)phenoxy]acetamide
2-[4-(2-{[(3-chlorophenyl)methyl]sulfanyl}-1-methyl-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | D392-0722 |
| Compound Name: | 2-[4-(2-{[(3-chlorophenyl)methyl]sulfanyl}-1-methyl-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)phenoxy]acetamide |
| Molecular Weight: | 484.96 |
| Molecular Formula: | C23 H21 Cl N4 O4 S |
| Smiles: | CN1C2=C(C(CC(N2)=O)c2ccc(cc2)OCC(N)=O)C(N=C1SCc1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8735 |
| logD: | 1.7734 |
| logSw: | -3.0748 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.969 |
| InChI Key: | LEDAMNUPMLKEMT-KRWDZBQOSA-N |