ethyl 3-(3-nitrophenyl)-3-[(2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)amino]propanoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 3-(3-nitrophenyl)-3-[(2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)amino]propanoate--hydrogen chloride (1/1)
ethyl 3-(3-nitrophenyl)-3-[(2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)amino]propanoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8016-1005 |
| Compound Name: | ethyl 3-(3-nitrophenyl)-3-[(2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)amino]propanoate--hydrogen chloride (1/1) |
| Molecular Weight: | 487.94 |
| Molecular Formula: | C18 H17 N3 O7 S2 |
| Salt: | HCl |
| Smiles: | CCOC(CC(c1cccc(c1)[N+]([O-])=O)NS(c1ccc2c(c1)SC(N2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3894 |
| logD: | 3.3678 |
| logSw: | -3.8339 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.529 |
| InChI Key: | KNFPYDILAONFMO-HNNXBMFYSA-N |