N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
Compound characteristics
Compound ID: | K783-6628 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridine-4-carboxamide |
Molecular Weight: | 414.48 |
Molecular Formula: | C21 H22 N2 O5 S |
Smiles: | Cc1ccc(cc1)S(N1CCC(=CC1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3712 |
logD: | 3.3711 |
logSw: | -3.715 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.478 |
InChI Key: | AXZLKLBFKGYMRD-UHFFFAOYSA-N |