[5-(6,8-dibromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile
Chemical Structure Depiction of
[5-(6,8-dibromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile
[5-(6,8-dibromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile
Compound characteristics
| Compound ID: | 8012-8425 |
| Compound Name: | [5-(6,8-dibromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile |
| Molecular Weight: | 426.08 |
| Molecular Formula: | C14 H6 Br2 N2 O2 S |
| Smiles: | C(C#N)c1ncc(C2=Cc3cc(cc(c3OC2=O)[Br])[Br])s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0797 |
| logD: | 4.0797 |
| logSw: | -4.4512 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.087 |
| InChI Key: | PEKLAHCASIZUMO-UHFFFAOYSA-N |