N-(6-{3-oxo-3-[(prop-2-en-1-yl)amino]propyl}-1,3-benzothiazol-2-yl)butanamide
Chemical Structure Depiction of
N-(6-{3-oxo-3-[(prop-2-en-1-yl)amino]propyl}-1,3-benzothiazol-2-yl)butanamide
N-(6-{3-oxo-3-[(prop-2-en-1-yl)amino]propyl}-1,3-benzothiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | F222-0728 |
| Compound Name: | N-(6-{3-oxo-3-[(prop-2-en-1-yl)amino]propyl}-1,3-benzothiazol-2-yl)butanamide |
| Molecular Weight: | 331.43 |
| Molecular Formula: | C17 H21 N3 O2 S |
| Smiles: | CCCC(Nc1nc2ccc(CCC(NCC=C)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7348 |
| logD: | 2.7347 |
| logSw: | -3.1418 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.462 |
| InChI Key: | KMWKIEWYLFMZPV-UHFFFAOYSA-N |