2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-0051 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C28 H22 N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OC1=C(\C=C(/C#N)c2nc3ccccc3s2)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3864 |
| logD: | 6.3864 |
| logSw: | -5.7001 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.247 |
| InChI Key: | IAQYANGBBZIOQK-UHFFFAOYSA-N |