N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-{[4-(dimethylamino)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-{[4-(dimethylamino)phenyl]methyl}-beta-alaninamide
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-{[4-(dimethylamino)phenyl]methyl}-beta-alaninamide
Compound characteristics
Compound ID: | E199-0193 |
Compound Name: | N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-{[4-(dimethylamino)phenyl]methyl}-beta-alaninamide |
Molecular Weight: | 456.36 |
Molecular Formula: | C17 H22 Br N5 O3 S |
Smiles: | CN(C)c1ccc(CNC(CCNS(c2cc(cnc2N)[Br])(=O)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 1.565 |
logD: | 1.5491 |
logSw: | -2.5852 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 98.949 |
InChI Key: | YKNBSNHMLAKGNJ-UHFFFAOYSA-N |