N-{6-[3-(azepan-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
Chemical Structure Depiction of
N-{6-[3-(azepan-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
N-{6-[3-(azepan-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
Compound characteristics
| Compound ID: | F222-0664 |
| Compound Name: | N-{6-[3-(azepan-1-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide |
| Molecular Weight: | 373.52 |
| Molecular Formula: | C20 H27 N3 O2 S |
| Smiles: | CCCC(Nc1nc2ccc(CCC(N3CCCCCC3)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0889 |
| logD: | 4.0889 |
| logSw: | -4.0326 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.601 |
| InChI Key: | KNHPXMMKWRPWSX-UHFFFAOYSA-N |