2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(2-fluoroanilino)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-fluoroanilino)prop-2-enenitrile
2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(2-fluoroanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | 2542-4024 |
| Compound Name: | 2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(2-fluoroanilino)prop-2-enenitrile |
| Molecular Weight: | 468.3 |
| Molecular Formula: | C21 H11 Br F N3 O2 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Br])c1csc(C(=C/Nc2ccccc2F)/C#N)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.3172 |
| logD: | 5.3172 |
| logSw: | -5.7212 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.582 |
| InChI Key: | BNASFSBRCTXQQQ-UHFFFAOYSA-N |