2-(4-methylbenzene-1-sulfonyl)-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-(4-methylbenzene-1-sulfonyl)-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile
2-(4-methylbenzene-1-sulfonyl)-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: | 6392-0396 |
| Compound Name: | 2-(4-methylbenzene-1-sulfonyl)-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enenitrile |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C28 H25 N3 O4 S |
| Smiles: | CC(C)c1ccc(C)cc1OC1=C(\C=C(/C#N)S(c2ccc(C)cc2)(=O)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4025 |
| logD: | 5.4025 |
| logSw: | -5.3489 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.386 |
| InChI Key: | AFDUUBITEFWEAA-UHFFFAOYSA-N |