methyl 4-{[3-(dimethylamino)propyl](4,5-dimethyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-{[3-(dimethylamino)propyl](4,5-dimethyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
methyl 4-{[3-(dimethylamino)propyl](4,5-dimethyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E677-2097 |
| Compound Name: | methyl 4-{[3-(dimethylamino)propyl](4,5-dimethyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 462.01 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c1C)nc(N(CCCN(C)C)C(c1ccc(cc1)C(=O)OC)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.7709 |
| logD: | 2.6231 |
| logSw: | -4.4697 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.185 |
| InChI Key: | SCRRXXGIFSNYKM-UHFFFAOYSA-N |