N~1~-cycloheptyl-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Chemical Structure Depiction of
N~1~-cycloheptyl-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
N~1~-cycloheptyl-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Compound characteristics
| Compound ID: | K232-1775 |
| Compound Name: | N~1~-cycloheptyl-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | C1CCCC(CC1)NC(CCC(Nc1nc(cs1)C1=Cc2ccccc2OC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8131 |
| logD: | 3.8021 |
| logSw: | -4.1762 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.341 |
| InChI Key: | IZWTXIUYSSRCMK-UHFFFAOYSA-N |