methyl 3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
Chemical Structure Depiction of
methyl 3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
methyl 3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate
Compound characteristics
| Compound ID: | 6392-0033 |
| Compound Name: | methyl 3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C23 H21 N3 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)OC1=C(\C=C(/C#N)C(=O)OC)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2105 |
| logD: | 4.2105 |
| logSw: | -4.4451 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.972 |
| InChI Key: | AGBQRVBXHWRKNH-UHFFFAOYSA-N |