Name: Name:N-[6-Chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)benzenesulfonamide potassium salt
Brand: Angene
SKU: AG00C3K9
Rating: 90 (10 reviews)

N-[6-Chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)benzenesulfonamide potassium salt

CAS No.:

301646-59-3

Catalog Number:

AG00C3K9

Molecular Formula:

C25H23ClKN5O4S

Molecular Weight:

564.0975

Catalog Number:

AG00C3K9

Chemical Name:

N-[6-Chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)benzenesulfonamide potassium salt

CAS Number:

301646-59-3

Molecular Formula:

C25H23ClKN5O4S

Molecular Weight:

564.0975

MDL Number:

MFCD15071652

IUPAC Name:

potassium;(4-tert-butylphenyl)sulfonyl-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]azanide

InChI:

InChI=1S/C25H23ClN5O4S.K/c1-25(2,3)16-10-12-17(13-11-16)36(32,33)31-22-20(35-19-9-6-5-8-18(19)34-4)21(26)29-24(30-22)23-27-14-7-15-28-23;/h5-15H,1-4H3;/q-1;+1

InChI Key:

AKVKGLFONGGDDC-UHFFFAOYSA-N

SMILES:

COc1ccccc1Oc1c(Cl)nc(nc1[N-]S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1.[K+]

EC Number:

608-447-9

Complexity:

800

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

563.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

564.098g/mol

Monoisotopic Mass:

563.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

114A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: