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129762-22-7 | 5(1H)-Indolizinone, 2,3,6,7-tetrahydro-7-methyl-8-[(4-methylphenyl)sulfinyl]-, [R-(R*,S*)]- (9CI)
CAS No: 129762-22-7 Catalog No: AG000TNV MDL No:
Product Description
Catalog Number:
AG000TNV
Chemical Name:
5(1H)-Indolizinone, 2,3,6,7-tetrahydro-7-methyl-8-[(4-methylphenyl)sulfinyl]-, [R-(R*,S*)]- (9CI)
CAS Number:
129762-22-7
Molecular Formula:
C16H19NO2S
Molecular Weight:
289.3926
IUPAC Name:
(7S)-7-methyl-8-(4-methylphenyl)sulfinyl-2,3,6,7-tetrahydro-1H-indolizin-5-one
InChI:
InChI=1S/C16H19NO2S/c1-11-5-7-13(8-6-11)20(19)16-12(2)10-15(18)17-9-3-4-14(16)17/h5-8,12H,3-4,9-10H2,1-2H3/t12-,20?/m0/s1
InChI Key:
WRRMLXQFNJYHBC-SVZXGPMESA-N
SMILES:
Cc1ccc(cc1)S(=O)C1=C2CCCN2C(=O)C[C@@H]1C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
289.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.393g/mol
Monoisotopic Mass:
289.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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