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NSC177967,40899-85-2, (4-methoxyphenyl)-(1-phenylsulfonylindol-2-yl)me

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摘 要:NSC177967,40899-85-2, (4-methoxyphenyl)-(1-phenylsulfonylindol-2-yl)methanol,Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)O,InChI: InChI=1/C22H19NO4S/c1-27-18-13-11-16(12-14-18)22(24)21-15-17-7-5-6-10-20,(17)23(21)28(25,26
[Synonyms]
NSC177967
40899-85-2

[Structure]
NSC177967,40899-85-2, (4-methoxyphenyl)-(1-phenylsulfonylindol-2-yl)me

[ Properties Computed from Structure]
Molecular Weight393.45556 [g/mol]
Molecular FormulaC22H19NO4S
XLogP4.2
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count5
Exact Mass393.103479
MonoIsotopic Mass393.103479
Topological Polar Surface Area68.5
Heavy Atom Count28
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (4-methoxyphenyl)-(1-phenylsulfonylindol-2-yl)methanol
Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)O
InChI: InChI=1/C22H19NO4S/c1-27-18-13-11-16(12-14-18)22(24)21-15-17-7-5-6-10-20
(17)23(21)28(25,26)19-8-3-2-4-9-19/h2-15,22,24H,1H3

 
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