1-[6-(4-benzylpiperidine-1-sulfonyl)-5-bromo-2,3-dihydro-1H-indol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(4-benzylpiperidine-1-sulfonyl)-5-bromo-2,3-dihydro-1H-indol-1-yl]ethan-1-one
1-[6-(4-benzylpiperidine-1-sulfonyl)-5-bromo-2,3-dihydro-1H-indol-1-yl]ethan-1-one
Compound characteristics
Compound ID: | C069-0882 |
Compound Name: | 1-[6-(4-benzylpiperidine-1-sulfonyl)-5-bromo-2,3-dihydro-1H-indol-1-yl]ethan-1-one |
Molecular Weight: | 477.42 |
Molecular Formula: | C22 H25 Br N2 O3 S |
Smiles: | CC(N1CCc2cc(c(cc12)S(N1CCC(CC1)Cc1ccccc1)(=O)=O)[Br])=O |
Stereo: | ACHIRAL |
logP: | 4.4556 |
logD: | 4.4556 |
logSw: | -4.3598 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 48.096 |
InChI Key: | SVIQUURYFHZMBB-UHFFFAOYSA-N |