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166882-70-8 | 2H-Indol-2-one, 1,3-dihydro-1-methyl-5-[[4-[(2S,4R)-tetrahydro-4-hydroxy-2-methyl-2H-pyran-4-yl]-2-thienyl]thio]-
CAS No: 166882-70-8 Catalog No: AG001WZ6 MDL No:
Product Description
Catalog Number:
AG001WZ6
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-1-methyl-5-[[4-[(2S,4R)-tetrahydro-4-hydroxy-2-methyl-2H-pyran-4-yl]-2-thienyl]thio]-
CAS Number:
166882-70-8
Molecular Formula:
C19H21NO3S2
Molecular Weight:
375.5049
IUPAC Name:
5-[4-[(2S,4R)-4-hydroxy-2-methyloxan-4-yl]thiophen-2-yl]sulfanyl-1-methyl-3H-indol-2-one
InChI:
InChI=1S/C19H21NO3S2/c1-12-10-19(22,5-6-23-12)14-9-18(24-11-14)25-15-3-4-16-13(7-15)8-17(21)20(16)2/h3-4,7,9,11-12,22H,5-6,8,10H2,1-2H3/t12-,19+/m0/s1
InChI Key:
MQLADKMVHOOVET-HXPMCKFVSA-N
SMILES:
C[C@@H]1OCC[C@](C1)(O)c1csc(c1)Sc1ccc2c(c1)CC(=O)N2C
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
375.096g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.501g/mol
Monoisotopic Mass:
375.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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