ethyl (2Z)-5-oxo-1-[(oxolan-2-yl)methyl]-2-[(2-phenylbutanoyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Chemical Structure Depiction of
ethyl (2Z)-5-oxo-1-[(oxolan-2-yl)methyl]-2-[(2-phenylbutanoyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
ethyl (2Z)-5-oxo-1-[(oxolan-2-yl)methyl]-2-[(2-phenylbutanoyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | C098-0658 |
| Compound Name: | ethyl (2Z)-5-oxo-1-[(oxolan-2-yl)methyl]-2-[(2-phenylbutanoyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 514.58 |
| Molecular Formula: | C29 H30 N4 O5 |
| Smiles: | CCC(C(/N=C1/C(=CC2=C(N=C3C=CC=CN3C2=O)N1CC1CCCO1)C(=O)OCC)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0849 |
| logD: | 3.0834 |
| logSw: | -3.0789 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.349 |
| InChI Key: | LJYCBEZGTQEFGL-UHFFFAOYSA-N |