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1492726-96-1 | (S)-2-Methyl-N-[(1R)-2,2,2-trifluoro-1-{3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl}ethyl]propane-2-sulfinamide
CAS No: 1492726-96-1 Catalog No: AG01EU7W MDL No:MFCD28369635
Product Description
Catalog Number:
AG01EU7W
Chemical Name:
(S)-2-Methyl-N-[(1R)-2,2,2-trifluoro-1-{3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl}ethyl]propane-2-sulfinamide
CAS Number:
1492726-96-1
Molecular Formula:
C18H20F3N3OS2
Molecular Weight:
415.4961
MDL Number:
MFCD28369635
IUPAC Name:
(S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide
InChI:
InChI=1S/C18H20F3N3OS2/c1-11-14(15(18(19,20)21)23-27(25)17(2,3)4)26-16-22-13(10-24(11)16)12-8-6-5-7-9-12/h5-10,15,23H,1-4H3/t15-,27-/m0/s1
InChI Key:
GNXIIPIKXAPPEZ-QZXCRCNTSA-N
SMILES:
FC([C@H](c1sc2n(c1C)cc(n2)c1ccccc1)N[S@@](=O)C(C)(C)C)(F)F
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
415.1g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.493g/mol
Monoisotopic Mass:
415.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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