2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(5-chloro-2-methoxyanilino)prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(5-chloro-2-methoxyanilino)prop-2-enenitrile
2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(5-chloro-2-methoxyanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | 2542-3880 |
| Compound Name: | 2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(5-chloro-2-methoxyanilino)prop-2-enenitrile |
| Molecular Weight: | 514.78 |
| Molecular Formula: | C22 H13 Br Cl N3 O3 S |
| Smiles: | COc1ccc(cc1N/C=C(\C#N)c1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Br])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7706 |
| logD: | 5.7696 |
| logSw: | -6.0095 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.212 |
| InChI Key: | XCUNUAUAIJZJOU-UHFFFAOYSA-N |