N~1~-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide
Chemical Structure Depiction of
N~1~-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide
N~1~-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide
Compound characteristics
| Compound ID: | K232-1897 |
| Compound Name: | N~1~-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide |
| Molecular Weight: | 540.43 |
| Molecular Formula: | C25 H22 Br N3 O4 S |
| Smiles: | Cc1ccc(CCNC(CCC(Nc2nc(cs2)C2=Cc3cc(ccc3OC2=O)[Br])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9103 |
| logD: | 3.8993 |
| logSw: | -4.0778 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.126 |
| InChI Key: | PDSPSORPQOVCEB-UHFFFAOYSA-N |