N-(2H-1,3-benzodioxol-5-yl)-1-{5-[2-(2,5-dimethylphenyl)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-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-{5-[2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F061-1417 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-{5-[2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide |
| Molecular Weight: | 523.61 |
| Molecular Formula: | C27 H29 N3 O6 S |
| Smiles: | Cc1ccc(C)c(/C=C/c2c(c(C)no2)S(N2CCCC(C2)C(Nc2ccc3c(c2)OCO3)=O)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1496 |
| logD: | 4.1488 |
| logSw: | -4.1564 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.605 |
| InChI Key: | MXHZSTSMXSPIIM-NRFANRHFSA-N |