methyl 4-{[3-(dimethylamino)propyl](6-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-{[3-(dimethylamino)propyl](6-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
methyl 4-{[3-(dimethylamino)propyl](6-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E677-0065 |
| Compound Name: | methyl 4-{[3-(dimethylamino)propyl](6-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 447.98 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c1)sc(n2)N(CCCN(C)C)C(c1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3374 |
| logD: | 2.1895 |
| logSw: | -4.2631 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.414 |
| InChI Key: | OILNBQZWRTZFAG-UHFFFAOYSA-N |