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890653-92-6 | ETHANOL, COMPD. WITH 6-[2-(2,6-DIFLUOROPHENYL)-4-PHENYL-1H-IMIDAZOL-5-YL]-1-[(1-METHYLETHYL)SULFONYL]-1H-BENZIMIDAZOL-2-AMINE (1:1)
CAS No: 890653-92-6 Catalog No: AG0041AK MDL No:
Product Description
Catalog Number:
AG0041AK
Chemical Name:
ETHANOL, COMPD. WITH 6-[2-(2,6-DIFLUOROPHENYL)-4-PHENYL-1H-IMIDAZOL-5-YL]-1-[(1-METHYLETHYL)SULFONYL]-1H-BENZIMIDAZOL-2-AMINE (1:1)
CAS Number:
890653-92-6
Molecular Formula:
C27H27F2N5O3S
Molecular Weight:
539.5968
IUPAC Name:
6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;ethanol
InChI:
InChI=1S/C25H21F2N5O2S.C2H6O/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27;1-2-3/h3-14H,1-2H3,(H2,28,29)(H,30,31);3H,2H2,1H3
InChI Key:
VORXAYQYTVZICS-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1c1nc(c([nH]1)c1ccc2c(c1)n(c(n2)N)S(=O)(=O)C(C)C)c1ccccc1)F.CCO
Properties
Complexity:
829
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
539.18g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
539.602g/mol
Monoisotopic Mass:
539.18g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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