2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enenitrile
2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 1246-0618 |
| Compound Name: | 2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 465.32 |
| Molecular Formula: | C22 H13 Br N2 O3 S |
| Smiles: | COc1ccccc1\C=C(/C#N)c1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.6681 |
| logD: | 5.6681 |
| logSw: | -5.5663 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.309 |
| InChI Key: | AKFWTBSJOPYNBG-UHFFFAOYSA-N |