3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-3003 |
| Compound Name: | 3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 427.53 |
| Molecular Formula: | C24 H21 N5 O S |
| Smiles: | C1CCCN(CC1)C1=C(\C=C(/C#N)c2nc3ccccc3s2)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5223 |
| logD: | 4.5223 |
| logSw: | -4.3544 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.868 |
| InChI Key: | FZSWAOBSLFBBMX-UHFFFAOYSA-N |