Cas no 1196074-08-4 (4-tert-butyl-N-(6-(2-hydroxyethoxy)-5-(2-Methoxyphenoxy)-2,2'-bipyriMidin-4-yl)benzenesulfonaMide hydrate)

4-tert-butyl-N-(6-(2-hydroxyethoxy)-5-(2-Methoxyphenoxy)-2,2'-bipyriMidin-4-yl)benzenesulfonaMide hydrate structure
1196074-08-4 structure
Product Name:4-tert-butyl-N-(6-(2-hydroxyethoxy)-5-(2-Methoxyphenoxy)-2,2'-bipyriMidin-4-yl)benzenesulfonaMide hydrate
CAS No:1196074-08-4
MF:C27H30ClN5O6S
MW:588.0750041008
CID:835896
PubChem ID:44514424
Update Time:2025-04-19

4-tert-butyl-N-(6-(2-hydroxyethoxy)-5-(2-Methoxyphenoxy)-2,2'-bipyriMidin-4-yl)benzenesulfonaMide hydrate Chemical and Physical Properties

Names and Identifiers

    • 4-tert-butyl-N-(6-(2-hydroxyethoxy)-5-(2-Methoxyphenoxy)-2,2'-bipyriMidin-4-yl)benzenesulfonaMide hydrate
    • N-[6-(2-Hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl ]-4-(2-methyl-2-propanyl)benzenesulfonamide hydrate (1:1)
    • Bosentan hydrochloride
    • SCHEMBL1411298
    • 1196074-08-4
    • 4-(tert-Butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide hydrochloride
    • XRVLHWIMNRBZNS-UHFFFAOYSA-N
    • Bosentan HCl
    • Inchi: 1S/C27H29N5O6S.ClH/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24;/h5-15,33H,16-17H2,1-4H3,(H,30,31,32);1H
    • InChI Key: XRVLHWIMNRBZNS-UHFFFAOYSA-N
    • SMILES: Cl.S(C1C=CC(=CC=1)C(C)(C)C)(NC1C(=C(N=C(C2N=CC=CN=2)N=1)OCCO)OC1C=CC=CC=1OC)(=O)=O

Computed Properties

  • Exact Mass: 587.1605326g/mol
  • Monoisotopic Mass: 587.1605326g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 11
  • Complexity: 839
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 154?2

4-tert-butyl-N-(6-(2-hydroxyethoxy)-5-(2-Methoxyphenoxy)-2,2'-bipyriMidin-4-yl)benzenesulfonaMide hydrate Pricemore >>

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