Name: Name:1-Piperidinecarboxylic acid, 2-[1-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)aMino]benzoyl]-3-hydroxy-3-azetidinyl]-, 1,1-diMethylethyl ester, (2R)-
Brand: Angene
SKU: AG00GTYJ
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 2-[1-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)aMino]benzoyl]-3-hydroxy-3-azetidinyl]-, 1,1-diMethylethyl ester, (2R)-

CAS No.:

934665-56-2

Catalog Number:

AG00GTYJ

Molecular Formula:

C26H29F3IN3O4

Molecular Weight:

631.4258

Catalog Number:

AG00GTYJ

Chemical Name:

1-Piperidinecarboxylic acid, 2-[1-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)aMino]benzoyl]-3-hydroxy-3-azetidinyl]-, 1,1-diMethylethyl ester, (2R)-

CAS Number:

934665-56-2

Molecular Formula:

C26H29F3IN3O4

Molecular Weight:

631.4258

MDL Number:

MFCD23160070

IUPAC Name:

tert-butyl (2R)-2-[1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-3-hydroxyazetidin-3-yl]piperidine-1-carboxylate

InChI:

InChI=1S/C26H29F3IN3O4/c1-25(2,3)37-24(35)33-11-5-4-6-20(33)26(36)13-32(14-26)23(34)16-8-9-17(27)21(29)22(16)31-19-10-7-15(30)12-18(19)28/h7-10,12,20,31,36H,4-6,11,13-14H2,1-3H3/t20-/m1/s1

InChI Key:

MBDPIJDSBJZNGV-HXUWFJFHSA-N

SMILES:

Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)[C@H]1CCCCN1C(=O)OC(C)(C)C

Complexity:

840

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

631.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

631.435g/mol

Monoisotopic Mass:

631.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.2