N-(2H-1,3-benzodioxol-5-yl)-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)-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)-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: | G721-0049 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-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: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | CC(C)c1cnc2c(C(N(C)C(N2C)=O)=O)c1SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1953 |
| logD: | 3.1944 |
| logSw: | -3.3754 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.755 |
| InChI Key: | SPZITTUGRZCHIU-UHFFFAOYSA-N |