N~1~-cycloheptyl-N~4~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Chemical Structure Depiction of
N~1~-cycloheptyl-N~4~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
N~1~-cycloheptyl-N~4~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Compound characteristics
| Compound ID: | K232-1881 |
| Compound Name: | N~1~-cycloheptyl-N~4~-[4-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C25 H29 N3 O5 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)c1csc(NC(CCC(NC2CCCCCC2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2794 |
| logD: | 4.2684 |
| logSw: | -4.2959 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.235 |
| InChI Key: | KBFBXYSZZZUMBN-UHFFFAOYSA-N |