N-(2H-1,3-benzodioxol-5-yl)-1-{5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-{5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-{5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C697-0374 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-{5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C21 H26 N4 O6 S |
| Smiles: | Cc1c(c(/C=C/N(C)C)on1)S(N1CCCC(C1)C(Nc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8941 |
| logD: | 0.8927 |
| logSw: | -2.4362 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.375 |
| InChI Key: | CEMDHTZVUXDXDG-HNNXBMFYSA-N |