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Home > Nitro Compounds > 182188-88-1
182188-88-1 | 4-Thiazolidinone, 3-[2-(4-hydroxy-4-phenyl-1-piperidinyl)ethyl]-2-(4-nitrophenyl)-
CAS No: 182188-88-1 Catalog No: AG0023GJ MDL No:
Product Description
Catalog Number:
AG0023GJ
Chemical Name:
4-Thiazolidinone, 3-[2-(4-hydroxy-4-phenyl-1-piperidinyl)ethyl]-2-(4-nitrophenyl)-
CAS Number:
182188-88-1
Molecular Formula:
C22H25N3O4S
Molecular Weight:
427.5166
IUPAC Name:
3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C22H25N3O4S/c26-20-16-30-21(17-6-8-19(9-7-17)25(28)29)24(20)15-14-23-12-10-22(27,11-13-23)18-4-2-1-3-5-18/h1-9,21,27H,10-16H2
InChI Key:
XDEWPWGNMSOAKL-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1CCN1CCC(CC1)(O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.157g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.519g/mol
Monoisotopic Mass:
427.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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