N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-phenoxypropanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-phenoxypropanamide--hydrogen chloride (1/1)
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-phenoxypropanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E676-0691 |
| Compound Name: | N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-phenoxypropanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 484.84 |
| Molecular Formula: | C20 H22 Br N3 O2 S |
| Salt: | HCl |
| Smiles: | CN(C)CCN(C(CCOc1ccccc1)=O)c1nc2ccc(cc2s1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0244 |
| logD: | 4.2938 |
| logSw: | -4.593 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.131 |
| InChI Key: | ZWQWRMXISKRDMY-UHFFFAOYSA-N |