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40899-88-5 | 1-(4-METHOXYPHENYL)-1-(1-(PHENYLSULFONYL)-1H-INDOL-2-YL)ETHANOL
CAS No: 40899-88-5 Catalog No: AG0073ZY MDL No:
Product Description
Catalog Number:
AG0073ZY
Chemical Name:
1-(4-METHOXYPHENYL)-1-(1-(PHENYLSULFONYL)-1H-INDOL-2-YL)ETHANOL
CAS Number:
40899-88-5
Molecular Formula:
C23H21NO4S
Molecular Weight:
407.4821
IUPAC Name:
1-[1-(benzenesulfonyl)indol-2-yl]-1-(4-methoxyphenyl)ethanol
InChI:
InChI=1S/C23H21NO4S/c1-23(25,18-12-14-19(28-2)15-13-18)22-16-17-8-6-7-11-21(17)24(22)29(26,27)20-9-4-3-5-10-20/h3-16,25H,1-2H3
InChI Key:
LMAXZUINPRFWGS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2)(O)C
NSC Number:
177966
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.119g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.484g/mol
Monoisotopic Mass:
407.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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