4-(3-oxo-1,2-benzothiazol-2(3H)-yl)-N-[(pyridin-3-yl)methyl]butanamide
Chemical Structure Depiction of
4-(3-oxo-1,2-benzothiazol-2(3H)-yl)-N-[(pyridin-3-yl)methyl]butanamide
4-(3-oxo-1,2-benzothiazol-2(3H)-yl)-N-[(pyridin-3-yl)methyl]butanamide
Compound characteristics
| Compound ID: | E022-1287 |
| Compound Name: | 4-(3-oxo-1,2-benzothiazol-2(3H)-yl)-N-[(pyridin-3-yl)methyl]butanamide |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C17 H17 N3 O2 S |
| Smiles: | C(CC(NCc1cccnc1)=O)CN1C(c2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.728 |
| logD: | 0.7256 |
| logSw: | -1.764 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.595 |
| InChI Key: | OJVXTGVSDCDAEX-UHFFFAOYSA-N |