methyl 3-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-7-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-7-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 3-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-7-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | J026-2009 |
| Compound Name: | methyl 3-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-7-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 488.46 |
| Molecular Formula: | C25 H20 N4 O7 |
| Smiles: | Cc1cc(C(=O)OC)c2C(N(CC(Nc3ccc4c(c3)OCO4)=O)C(N(c3ccccc3)c2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1799 |
| logD: | 3.1799 |
| logSw: | -3.3808 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.799 |
| InChI Key: | FIDGKOYVLQIPIY-UHFFFAOYSA-N |