N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(phenylsulfanyl)propanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(phenylsulfanyl)propanamide--hydrogen chloride (1/1)
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(phenylsulfanyl)propanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E676-2788 |
| Compound Name: | N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(phenylsulfanyl)propanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 457.99 |
| Molecular Formula: | C20 H21 F2 N3 O S2 |
| Salt: | HCl |
| Smiles: | CN(C)CCN(C(CCSc1ccccc1)=O)c1nc2c(cc(cc2s1)F)F |
| Stereo: | ACHIRAL |
| logP: | 4.8242 |
| logD: | 4.0936 |
| logSw: | -4.5753 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.4836 |
| InChI Key: | GHWFIPKVUFSILH-UHFFFAOYSA-N |