methyl 4-{(6-bromo-1,3-benzothiazol-2-yl)[2-(dimethylamino)ethyl]carbamoyl}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-{(6-bromo-1,3-benzothiazol-2-yl)[2-(dimethylamino)ethyl]carbamoyl}benzoate--hydrogen chloride (1/1)
methyl 4-{(6-bromo-1,3-benzothiazol-2-yl)[2-(dimethylamino)ethyl]carbamoyl}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E676-0700 |
| Compound Name: | methyl 4-{(6-bromo-1,3-benzothiazol-2-yl)[2-(dimethylamino)ethyl]carbamoyl}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 498.82 |
| Molecular Formula: | C20 H20 Br N3 O3 S |
| Salt: | HCl |
| Smiles: | CN(C)CCN(C(c1ccc(cc1)C(=O)OC)=O)c1nc2ccc(cc2s1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6579 |
| logD: | 4.413 |
| logSw: | -4.4243 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.414 |
| InChI Key: | RHUNOICGSIWPNI-UHFFFAOYSA-N |