N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide--hydrogen chloride (1/1)
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E677-0565 |
| Compound Name: | N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 478.4 |
| Molecular Formula: | C22 H20 Cl N3 O3 S |
| Salt: | HCl |
| Smiles: | CN(C)CCCN(C(C1=Cc2ccccc2OC1=O)=O)c1nc2ccc(cc2s1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2884 |
| logD: | 2.1405 |
| logSw: | -4.6636 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.162 |
| InChI Key: | ULZYUJBCMQURPU-UHFFFAOYSA-N |