methyl 4-{[2-(dimethylamino)ethyl](6-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(dimethylamino)ethyl](6-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate
methyl 4-{[2-(dimethylamino)ethyl](6-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate
Compound characteristics
| Compound ID: | E676-0446 |
| Compound Name: | methyl 4-{[2-(dimethylamino)ethyl](6-fluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate |
| Molecular Weight: | 437.92 |
| Molecular Formula: | C20 H20 F N3 O3 S |
| Salt: | HCl |
| Smiles: | CN(C)CCN(C(c1ccc(cc1)C(=O)OC)=O)c1nc2ccc(cc2s1)F |
| Stereo: | ACHIRAL |
| logP: | 3.981 |
| logD: | 3.736 |
| logSw: | -4.128 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.414 |
| InChI Key: | CWJUXIIRGVKHPP-UHFFFAOYSA-N |