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Home > Indoles and Oxindole > 86427-44-3
86427-44-3 | 4-Thiazolidinone,2-(1H-indol-3-yl)-3-(2-phenylethyl)-
CAS No: 86427-44-3 Catalog No: AG004XAR MDL No:
Product Description
Catalog Number:
AG004XAR
Chemical Name:
4-Thiazolidinone,2-(1H-indol-3-yl)-3-(2-phenylethyl)-
CAS Number:
86427-44-3
Molecular Formula:
C19H18N2OS
Molecular Weight:
322.4240
IUPAC Name:
2-(1H-indol-3-yl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C19H18N2OS/c22-18-13-23-19(16-12-20-17-9-5-4-8-15(16)17)21(18)11-10-14-6-2-1-3-7-14/h1-9,12,19-20H,10-11,13H2
InChI Key:
LDDYPGMGUXNFFQ-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1CCc1ccccc1)c1c[nH]c2c1cccc2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.114g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.426g/mol
Monoisotopic Mass:
322.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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