3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-{3-[(propan-2-yl)oxy]propyl}prop-2-enamide
Chemical Structure Depiction of
3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-{3-[(propan-2-yl)oxy]propyl}prop-2-enamide
3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-{3-[(propan-2-yl)oxy]propyl}prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0062 |
| Compound Name: | 3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-{3-[(propan-2-yl)oxy]propyl}prop-2-enamide |
| Molecular Weight: | 488.59 |
| Molecular Formula: | C28 H32 N4 O4 |
| Smiles: | CC(C)OCCCNC(C(=C\C1=C(N=C2C=CC=CN2C1=O)Oc1ccc(cc1)C(C)(C)C)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1225 |
| logD: | 4.1224 |
| logSw: | -4.1978 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.526 |
| InChI Key: | LQBICGIPEFHVSD-UHFFFAOYSA-N |