N~1~-[4-(6-hexyl-7-hydroxy-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-hexyl-7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide
N~1~-[4-(6-hexyl-7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide
Compound characteristics
| Compound ID: | K232-1876 |
| Compound Name: | N~1~-[4-(6-hexyl-7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(4-methylphenyl)ethyl]butanediamide |
| Molecular Weight: | 561.7 |
| Molecular Formula: | C31 H35 N3 O5 S |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c1csc(NC(CCC(NCCc2ccc(C)cc2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4729 |
| logD: | 5.4592 |
| logSw: | -4.936 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.674 |
| InChI Key: | GBUSFHDIEMTLOI-UHFFFAOYSA-N |