Name: Name:(R)-XL518
Brand: Angene
SKU: AG00GTMI
Rating: 90 (10 reviews)

(R)-XL518

CAS No.:

934660-94-3

Catalog Number:

AG00GTMI

Molecular Formula:

C21H21F3IN3O2

Molecular Weight:

531.3100

Catalog Number:

AG00GTMI

Chemical Name:

(R)-XL518

CAS Number:

934660-94-3

Molecular Formula:

C21H21F3IN3O2

Molecular Weight:

531.3100

MDL Number:

MFCD25977159

IUPAC Name:

[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl]methanone

InChI:

InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m1/s1

InChI Key:

BSMCAPRUBJMWDF-QGZVFWFLSA-N

SMILES:

Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)C1CCCCN1

Complexity:

624

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

531.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

531.318g/mol

Monoisotopic Mass:

531.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9