3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-chlorobenzene-1-sulfonyl)prop-2-enenitrile
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-chlorobenzene-1-sulfonyl)prop-2-enenitrile
3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-chlorobenzene-1-sulfonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-3005 |
| Compound Name: | 3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-chlorobenzene-1-sulfonyl)prop-2-enenitrile |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C23 H21 Cl N4 O3 S |
| Smiles: | C1CCCN(CC1)C1=C(\C=C(/C#N)S(c2ccc(cc2)[Cl])(=O)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8695 |
| logD: | 3.8695 |
| logSw: | -4.4179 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.92 |
| InChI Key: | BWMVHODCWIHCOZ-UHFFFAOYSA-N |