N~1~-[4-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-cycloheptylbutanediamide
Chemical Structure Depiction of
N~1~-[4-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-cycloheptylbutanediamide
N~1~-[4-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-cycloheptylbutanediamide
Compound characteristics
| Compound ID: | K232-1812 |
| Compound Name: | N~1~-[4-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-cycloheptylbutanediamide |
| Molecular Weight: | 473.98 |
| Molecular Formula: | C23 H24 Cl N3 O4 S |
| Smiles: | C1CCCC(CC1)NC(CCC(Nc1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4249 |
| logD: | 4.4139 |
| logSw: | -4.6742 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.341 |
| InChI Key: | MDGMULJPBXWZOP-UHFFFAOYSA-N |