methyl 4-{[2-(diethylamino)ethyl](4-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-{[2-(diethylamino)ethyl](4-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
methyl 4-{[2-(diethylamino)ethyl](4-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E676-4129 |
| Compound Name: | methyl 4-{[2-(diethylamino)ethyl](4-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 465.97 |
| Molecular Formula: | C22 H24 F N3 O3 S |
| Salt: | HCl |
| Smiles: | CCN(CC)CCN(C(c1ccc(cc1)C(=O)OC)=O)c1nc2c(cccc2s1)F |
| Stereo: | ACHIRAL |
| logP: | 4.772 |
| logD: | 4.3673 |
| logSw: | -4.4657 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.73 |
| InChI Key: | SOVCUBVUFGLGRX-UHFFFAOYSA-N |