2-(benzenesulfonyl)-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile
2-(benzenesulfonyl)-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-0395 |
| Compound Name: | 2-(benzenesulfonyl)-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C27 H23 N3 O4 S |
| Smiles: | CC(C)c1ccc(C)cc1OC1=C(\C=C(/C#N)S(c2ccccc2)(=O)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.794 |
| logD: | 4.794 |
| logSw: | -4.6786 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.386 |
| InChI Key: | MTYVBPQGYSAZHE-UHFFFAOYSA-N |