2-[4-(2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)phenoxy]acetamide
Chemical Structure Depiction of
2-[4-(2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)phenoxy]acetamide
2-[4-(2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | D392-0055 |
| Compound Name: | 2-[4-(2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)phenoxy]acetamide |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | Cc1cccc(CSC2NC(C3C(CC(NC=3N=2)=O)c2ccc(cc2)OCC(N)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5994 |
| logD: | 1.5895 |
| logSw: | -2.3899 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.755 |
| InChI Key: | BEFBXUFWIGJHJX-QGZVFWFLSA-N |