FR172516 free base

dimethyl 4-[2-[4-[[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]butoxy]-5-nitrophenyl]-2-methyl-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Also Known As: FR172516 free base|FR-172516 free base|J1.145.985D|1,4-Dihydro-2-(trifluoromethyl)-4-[5-nitro-2-[4-[[(S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]butoxy]phenyl]-6-methyl-3,5-pyridinedicarboxylic acid dimethyl ester|3,5-Dimethyl 1,4-dihydro-4-[2-[4-[[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]butoxy]-5-nitrophenyl]-2-methyl-6-(trifluoromethyl)-3,5-pyridinedicarboxylate|3,5-dimethyl 4-[2-(4-{[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino}butoxy)-5-nitrophenyl]-2-methyl-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate|3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[2-[4-[[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]butoxy]-5-nitrophenyl]-2-methyl-6-(trifluoromethyl)-, 3,5-dimethyl ester|3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[2-[4-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]butoxy]-5-nitrophenyl]-2-methyl-6-(trifluoromethyl)-, dimethyl ester, [4(S)]-

Molecular Formula	C31H36F3N3O9
Molecular Weight	651.24036 g/mol
LogP	4.21492
Topological Polar Surface Area	158.49 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	15
Exact Mass	651.24036
Monoisotopic Mass	651.24036
Heavy Atoms	46
Complexity	1491.0867

Chemical Identifiers

CAS Number	188564-72-9
SMILES	CC1=CC=CC=C1OC[C@H](CNCCCCOC2=C(C=C(C=C2)[N+](=O)[O-])C3C(=C(NC(=C3C(=O)OC)C(F)(F)F)C)C(=O)OC)O