2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(2,5-dimethoxyanilino)prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(2,5-dimethoxyanilino)prop-2-enenitrile
2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(2,5-dimethoxyanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | 2542-3640 |
| Compound Name: | 2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(2,5-dimethoxyanilino)prop-2-enenitrile |
| Molecular Weight: | 510.36 |
| Molecular Formula: | C23 H16 Br N3 O4 S |
| Smiles: | COc1ccc(c(c1)N/C=C(\C#N)c1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 5.2012 |
| logD: | 5.201 |
| logSw: | -5.2024 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.756 |
| InChI Key: | XYHKUIWMPFDPNW-UHFFFAOYSA-N |