2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(3-ethoxypropyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(3-ethoxypropyl)prop-2-enamide
2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(3-ethoxypropyl)prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0989 |
| Compound Name: | 2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(3-ethoxypropyl)prop-2-enamide |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C26 H28 N4 O4 |
| Smiles: | CCOCCCNC(C(=C\C1=C(N=C2C(C)=CC=CN2C1=O)Oc1cc(C)cc(C)c1)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2108 |
| logD: | 3.2106 |
| logSw: | -3.3818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.323 |
| InChI Key: | XMVQURCTGOVJQS-UHFFFAOYSA-N |