2-(4-methylbenzene-1-sulfonyl)-3-[2-(4-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(4-methylbenzene-1-sulfonyl)-3-[2-(4-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
2-(4-methylbenzene-1-sulfonyl)-3-[2-(4-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-0117 |
| Compound Name: | 2-(4-methylbenzene-1-sulfonyl)-3-[2-(4-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C25 H19 N3 O4 S |
| Smiles: | Cc1ccc(cc1)OC1=C(\C=C(/C#N)S(c2ccc(C)cc2)(=O)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1912 |
| logD: | 4.1912 |
| logSw: | -4.3328 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.299 |
| InChI Key: | LBCGCLNTOPRYTK-UHFFFAOYSA-N |