4-acetyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-acetyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide--hydrogen chloride (1/1)
4-acetyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E677-0668 |
| Compound Name: | 4-acetyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 496.85 |
| Molecular Formula: | C21 H22 Br N3 O2 S |
| Salt: | HCl |
| Smiles: | CC(c1ccc(cc1)C(N(CCCN(C)C)c1nc2ccc(cc2s1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1267 |
| logD: | 1.9788 |
| logSw: | -4.1952 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.067 |
| InChI Key: | ZMMQCMPOXHEWRI-UHFFFAOYSA-N |