3-[2-(4-chlorophenoxy)-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-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
3-[2-(4-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-0768 |
| Compound Name: | 3-[2-(4-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C25 H18 Cl N3 O4 S |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)S(c1ccc(C)cc1)(=O)=O)C2=O)Oc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6329 |
| logD: | 4.6329 |
| logSw: | -4.9307 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.32 |
| InChI Key: | NWQDWFQOFDOUHJ-UHFFFAOYSA-N |