N-(4-bromo-2-fluorophenyl)-1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
N-(4-bromo-2-fluorophenyl)-1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
Compound characteristics
Compound ID: | K783-6612 |
Compound Name: | N-(4-bromo-2-fluorophenyl)-1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridine-4-carboxamide |
Molecular Weight: | 453.33 |
Molecular Formula: | C19 H18 Br F N2 O3 S |
Smiles: | Cc1ccc(cc1)S(N1CCC(=CC1)C(Nc1ccc(cc1F)[Br])=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.6398 |
logD: | 4.2819 |
logSw: | -4.3182 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.343 |
InChI Key: | AMRXHBAUIDCGSR-UHFFFAOYSA-N |