N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-3-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-3-carboxamide--hydrogen chloride (1/1)
N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-3-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E677-1327 |
| Compound Name: | N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-3-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 461.94 |
| Molecular Formula: | C22 H20 F N3 O3 S |
| Salt: | HCl |
| Smiles: | CN(C)CCCN(C(C1=Cc2ccccc2OC1=O)=O)c1nc2c(cccc2s1)F |
| Stereo: | ACHIRAL |
| logP: | 3.7003 |
| logD: | 1.5525 |
| logSw: | -4.1102 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.933 |
| InChI Key: | JGQMZEQECCOSET-UHFFFAOYSA-N |