2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile
2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 1246-0738 |
| Compound Name: | 2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile |
| Molecular Weight: | 480.29 |
| Molecular Formula: | C21 H10 Br N3 O4 S |
| Smiles: | C(=C(/C#N)c1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Br])/c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5386 |
| logD: | 5.5386 |
| logSw: | -5.9441 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.06 |
| InChI Key: | KEUCAJUUVKPPEV-UHFFFAOYSA-N |