Name: Name:(R)-3-methyl-3-(methylsulfonyl)-1-(1H-1,2,4-triazol-1-yl)-2-(4-(trifluoromethyl)phenyl)butan-2-ol
Brand: Angene
SKU: AG01DFZC
Rating: 90 (10 reviews)

(R)-3-methyl-3-(methylsulfonyl)-1-(1H-1,2,4-triazol-1-yl)-2-(4-(trifluoromethyl)phenyl)butan-2-ol

CAS No.:

136067-87-3

Catalog Number:

AG01DFZC

Molecular Formula:

C15H18F3N3O3S

Molecular Weight:

377.3819

Catalog Number:

AG01DFZC

Chemical Name:

(R)-3-methyl-3-(methylsulfonyl)-1-(1H-1,2,4-triazol-1-yl)-2-(4-(trifluoromethyl)phenyl)butan-2-ol

CAS Number:

136067-87-3

Molecular Formula:

C15H18F3N3O3S

Molecular Weight:

377.3819

MDL Number:

MFCD00950051

IUPAC Name:

(2R)-3-methyl-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butan-2-ol

InChI:

InChI=1S/C15H18F3N3O3S/c1-13(2,25(3,23)24)14(22,8-21-10-19-9-20-21)11-4-6-12(7-5-11)15(16,17)18/h4-7,9-10,22H,8H2,1-3H3/t14-/m0/s1

InChI Key:

NZEBWFSFYQECNY-AWEZNQCLSA-N

SMILES:

O[C@](C(S(=O)(=O)C)(C)C)(c1ccc(cc1)C(F)(F)F)Cn1ncnc1

Complexity:

569

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

377.102g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

377.382g/mol

Monoisotopic Mass:

377.102g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5