Name: Name:5-Quinolinecarboxylic acid,7-fluoro-2-(4-fluorophenyl)-1,2,3,4-tetrahydro-3-(1-Methyl-1H-1,2,4-triazol-5-yl)-4-oxo-,Methyl ester,(2S,3S)-
Brand: Angene
SKU: AG009C8J
Rating: 90 (10 reviews)

5-Quinolinecarboxylic acid,7-fluoro-2-(4-fluorophenyl)-1,2,3,4-tetrahydro-3-(1-Methyl-1H-1,2,4-triazol-5-yl)-4-oxo-,Methyl ester,(2S,3S)-

CAS No.:

1373329-52-2

Catalog Number:

AG009C8J

Molecular Formula:

C20H16F2N4O3

Molecular Weight:

398.3628

Catalog Number:

AG009C8J

Chemical Name:

5-Quinolinecarboxylic acid,7-fluoro-2-(4-fluorophenyl)-1,2,3,4-tetrahydro-3-(1-Methyl-1H-1,2,4-triazol-5-yl)-4-oxo-,Methyl ester,(2S,3S)-

CAS Number:

1373329-52-2

Molecular Formula:

C20H16F2N4O3

Molecular Weight:

398.3628

MDL Number:

MFCD25977289

IUPAC Name:

methyl (2S,3S)-7-fluoro-2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-4-oxo-2,3-dihydro-1H-quinoline-5-carboxylate

InChI:

InChI=1S/C20H16F2N4O3/c1-26-19(23-9-24-26)16-17(10-3-5-11(21)6-4-10)25-14-8-12(22)7-13(20(28)29-2)15(14)18(16)27/h3-9,16-17,25H,1-2H3/t16-,17-/m1/s1

InChI Key:

PVAIIDFKUPYMQA-IAGOWNOFSA-N

SMILES:

COC(=O)c1cc(F)cc2c1C(=O)[C@@H]([C@H](N2)c1ccc(cc1)F)c1ncnn1C

Complexity:

631

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

398.119g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

398.37g/mol

Monoisotopic Mass:

398.119g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8