3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Chemical Structure Depiction of
3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-0737 |
| Compound Name: | 3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C26 H21 N3 O5 S |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)S(c1ccc(C)cc1)(=O)=O)C2=O)Oc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0205 |
| logD: | 4.0205 |
| logSw: | -4.1911 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.864 |
| InChI Key: | UEOSYJHZCOLILT-UHFFFAOYSA-N |