Name: Name:Methyl 5-((3-bromo-4-methylpyridin-2-yl)(tert-butoxycarbonyl)amino)-3'-(ethylsulfonyl)-4-methylbiphenyl-3-carboxylate
Brand: Angene
SKU: AG01D8UB
Rating: 90 (10 reviews)

Methyl 5-((3-bromo-4-methylpyridin-2-yl)(tert-butoxycarbonyl)amino)-3'-(ethylsulfonyl)-4-methylbiphenyl-3-carboxylate

CAS No.:

1415562-73-0

Catalog Number:

AG01D8UB

Molecular Formula:

C28H31BrN2O6S

Molecular Weight:

603.5245

Catalog Number:

AG01D8UB

Chemical Name:

Methyl 5-((3-bromo-4-methylpyridin-2-yl)(tert-butoxycarbonyl)amino)-3'-(ethylsulfonyl)-4-methylbiphenyl-3-carboxylate

CAS Number:

1415562-73-0

Molecular Formula:

C28H31BrN2O6S

Molecular Weight:

603.5245

MDL Number:

MFCD22124625

IUPAC Name:

methyl 3-[(3-bromo-4-methylpyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(3-ethylsulfonylphenyl)-2-methylbenzoate

InChI:

InChI=1S/C28H31BrN2O6S/c1-8-38(34,35)21-11-9-10-19(14-21)20-15-22(26(32)36-7)18(3)23(16-20)31(27(33)37-28(4,5)6)25-24(29)17(2)12-13-30-25/h9-16H,8H2,1-7H3

InChI Key:

HXISPCSTQZMVTF-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(cc(c1C)N(c1nccc(c1Br)C)C(=O)OC(C)(C)C)c1cccc(c1)S(=O)(=O)CC

Complexity:

933

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

602.109g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

603.528g/mol

Monoisotopic Mass:

602.109g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

111A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: