3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
Chemical Structure Depiction of
3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0634 |
| Compound Name: | 3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide |
| Molecular Weight: | 492.58 |
| Molecular Formula: | C30 H28 N4 O3 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)C(Nc1ccc(C)cc1)=O)C2=O)Oc1ccc(cc1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.0808 |
| logD: | 5.9228 |
| logSw: | -5.5523 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.91 |
| InChI Key: | DTWNKFLBGWPMFM-UHFFFAOYSA-N |