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Home > Fluorides > 1556948-38-9
1556948-38-9 | (S)-2-Methyl-N-[(1S)-2,2,2-trifluoro-1-[(2S)-1-oxo 2,3-dihydro-1H-inden-2-yl]ethyl]propane-2-sulfinamide
CAS No: 1556948-38-9 Catalog No: AG01EU99 MDL No:MFCD28369633
Product Description
Catalog Number:
AG01EU99
Chemical Name:
(S)-2-Methyl-N-[(1S)-2,2,2-trifluoro-1-[(2S)-1-oxo 2,3-dihydro-1H-inden-2-yl]ethyl]propane-2-sulfinamide
CAS Number:
1556948-38-9
Molecular Formula:
C15H18F3NO2S
Molecular Weight:
333.3691
MDL Number:
MFCD28369633
IUPAC Name:
(S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-[(2S)-3-oxo-1,2-dihydroinden-2-yl]ethyl]propane-2-sulfinamide
InChI:
InChI=1S/C15H18F3NO2S/c1-14(2,3)22(21)19-13(15(16,17)18)11-8-9-6-4-5-7-10(9)12(11)20/h4-7,11,13,19H,8H2,1-3H3/t11-,13+,22+/m1/s1
InChI Key:
ZKZNSCIBDIWDRL-IWGBLYGRSA-N
SMILES:
O=C1c2ccccc2C[C@H]1[C@@H](C(F)(F)F)N[S@@](=O)C(C)(C)C
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
333.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.369g/mol
Monoisotopic Mass:
333.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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