ethyl 3-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2-(4-methylphenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
Chemical Structure Depiction of
ethyl 3-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2-(4-methylphenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
ethyl 3-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2-(4-methylphenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
Compound characteristics
| Compound ID: | L392-1314 |
| Compound Name: | ethyl 3-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2-(4-methylphenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate |
| Molecular Weight: | 490.52 |
| Molecular Formula: | C26 H26 N4 O6 |
| Smiles: | CCOC(N1CCC2=C(C1)N=C(c1ccc(C)cc1)N(CC(Nc1ccc3c(c1)OCO3)=O)C2=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2847 |
| logD: | 3.2837 |
| logSw: | -3.3019 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.299 |
| InChI Key: | QXPAZVKASYDMMM-UHFFFAOYSA-N |