2-(benzenesulfonyl)-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
2-(benzenesulfonyl)-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-0984 |
| Compound Name: | 2-(benzenesulfonyl)-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C26 H21 N3 O4 S |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)S(c1ccccc1)(=O)=O)C2=O)Oc1cc(C)cc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2124 |
| logD: | 4.2124 |
| logSw: | -4.4152 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.32 |
| InChI Key: | WJOLDWQADMNGJK-UHFFFAOYSA-N |