N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | L306-0468 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C22 H23 N3 O6 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7356 |
| logD: | 2.7356 |
| logSw: | -3.4588 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.088 |
| InChI Key: | XBQVLQBUESNFBN-UHFFFAOYSA-N |