N-[1-(adamantan-1-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-[1-(adamantan-1-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | E022-1116 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 398.57 |
| Molecular Formula: | C23 H30 N2 O2 S |
| Smiles: | CCC(C(NC(C)C12CC3CC(CC(C3)C2)C1)=O)N1C(c2ccccc2S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.874 |
| logD: | 4.874 |
| logSw: | -4.5746 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.994 |
| InChI Key: | IPIRJGMWXZNPSQ-UHFFFAOYSA-N |