4-(azepan-1-yl)-4-oxo-N-(2-propanamido-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
4-(azepan-1-yl)-4-oxo-N-(2-propanamido-1,3-benzothiazol-6-yl)butanamide
4-(azepan-1-yl)-4-oxo-N-(2-propanamido-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | F259-0238 |
| Compound Name: | 4-(azepan-1-yl)-4-oxo-N-(2-propanamido-1,3-benzothiazol-6-yl)butanamide |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CCC(Nc1nc2ccc(cc2s1)NC(CCC(N1CCCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6955 |
| logD: | 2.6954 |
| logSw: | -3.1325 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.75 |
| InChI Key: | RYRXOEGBCOKGBI-UHFFFAOYSA-N |