methyl 4-{[2-(dimethylamino)ethyl](4,5-dimethyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-{[2-(dimethylamino)ethyl](4,5-dimethyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
methyl 4-{[2-(dimethylamino)ethyl](4,5-dimethyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E676-2097 |
| Compound Name: | methyl 4-{[2-(dimethylamino)ethyl](4,5-dimethyl-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(c1C)nc(N(CCN(C)C)C(c1ccc(cc1)C(=O)OC)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.7535 |
| logD: | 4.5085 |
| logSw: | -4.4219 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.185 |
| InChI Key: | LEUPKEIAXMJKNJ-UHFFFAOYSA-N |