Name: Name:2-[(3S)-3-(Acetyloxy)-1-broMo-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]propyl]-benzoic Acid Methyl Ester
Brand: Angene
SKU: AG00ADTD
Rating: 90 (10 reviews)

2-[(3S)-3-(Acetyloxy)-1-broMo-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]propyl]-benzoic Acid Methyl Ester

CAS No.:

184763-69-7

Catalog Number:

AG00ADTD

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00ADTD

Chemical Name:

2-[(3S)-3-(Acetyloxy)-1-broMo-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]propyl]-benzoic Acid Methyl Ester

CAS Number:

184763-69-7

MDL Number:

MFCD28143253

IUPAC Name:

methyl 2-[(3R)-3-acetyloxy-1-bromo-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]benzoate

InChI:

InChI=1S/C30H25BrClNO4/c1-19(34)37-29(18-27(31)25-8-3-4-9-26(25)30(35)36-2)22-7-5-6-20(16-22)10-14-24-15-12-21-11-13-23(32)17-28(21)33-24/h3-17,27,29H,18H2,1-2H3/b14-10+/t27?,29-/m1/s1

InChI Key:

HSBFIKUWWYDDPH-DNZJWFKUSA-N

Complexity:

794

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

577.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

578.887g/mol

Monoisotopic Mass:

577.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.3