N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenoxypropanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenoxypropanamide--hydrogen chloride (1/1)
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenoxypropanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E677-0691 |
| Compound Name: | N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenoxypropanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 498.87 |
| Molecular Formula: | C21 H24 Br N3 O2 S |
| Salt: | HCl |
| Smiles: | CN(C)CCCN(C(CCOc1ccccc1)=O)c1nc2ccc(cc2s1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0418 |
| logD: | 2.8363 |
| logSw: | -4.6041 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.131 |
| InChI Key: | YSAOXNVJEFKPLE-UHFFFAOYSA-N |