methyl 3-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1,7-dimethyl-2,4-dioxo-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}-1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 3-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | J026-3835 |
| Compound Name: | methyl 3-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 426.38 |
| Molecular Formula: | C20 H18 N4 O7 |
| Smiles: | Cc1cc(C(=O)OC)c2C(N(CC(Nc3ccc4c(c3)OCO4)=O)C(N(C)c2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0676 |
| logD: | 2.0675 |
| logSw: | -3.1552 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.448 |
| InChI Key: | NGTIXMHNIGHCTD-UHFFFAOYSA-N |