N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C444-0081 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C20 H20 N4 O5 S2 |
| Smiles: | C1CC(CN(C1)S(c1cccc2c1nsn2)(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1839 |
| logD: | 2.1839 |
| logSw: | -2.7404 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.364 |
| InChI Key: | DKXFEGDCJUNKKW-AWEZNQCLSA-N |