ethyl 3-(3-nitrophenyl)-3-[2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamido]propanoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 3-(3-nitrophenyl)-3-[2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamido]propanoate--hydrogen chloride (1/1)
ethyl 3-(3-nitrophenyl)-3-[2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamido]propanoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8016-8171 |
| Compound Name: | ethyl 3-(3-nitrophenyl)-3-[2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamido]propanoate--hydrogen chloride (1/1) |
| Molecular Weight: | 465.91 |
| Molecular Formula: | C20 H19 N3 O6 S |
| Salt: | HCl |
| Smiles: | CCOC(CC(c1cccc(c1)[N+]([O-])=O)NC(CN1C(=O)Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0022 |
| logD: | 3.0022 |
| logSw: | -3.5068 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.453 |
| InChI Key: | FHWDYRZZXLLACH-HNNXBMFYSA-N |