FR-172516

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;hydrochloride

Also Known As: FR 172516|SID:134225014|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 hydrochloride|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, hydrochloride|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)-, dimethyl ester, monohydrochloride|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, monohydrochloride, [4(S)]-

Molecular Formula	C31H37ClF3N3O9
Molecular Weight	687.21704 g/mol
LogP	4.63672
Topological Polar Surface Area	158.49 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	15
Exact Mass	687.21704
Monoisotopic Mass	687.21704
Heavy Atoms	47
Complexity	1498.0685

Chemical Identifiers

CAS Number	188564-74-1
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.Cl