N~1~-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[(pyridin-2-yl)methyl]butanediamide
Chemical Structure Depiction of
N~1~-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[(pyridin-2-yl)methyl]butanediamide
N~1~-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[(pyridin-2-yl)methyl]butanediamide
Compound characteristics
| Compound ID: | K232-1862 |
| Compound Name: | N~1~-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[(pyridin-2-yl)methyl]butanediamide |
| Molecular Weight: | 513.37 |
| Molecular Formula: | C22 H17 Br N4 O4 S |
| Smiles: | C(CC(Nc1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Br])=O)C(NCc1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8024 |
| logD: | 2.7911 |
| logSw: | -3.466 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.827 |
| InChI Key: | NGNOTZUFOWHOGU-UHFFFAOYSA-N |