N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G721-0068 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1,3-dimethyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C22 H24 N4 O5 S |
| Smiles: | CC(C)c1cnc2c(C(N(C)C(N2C)=O)=O)c1SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9566 |
| logD: | 2.9558 |
| logSw: | -3.2599 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.077 |
| InChI Key: | JRZXISMFSRRXOT-UHFFFAOYSA-N |