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866149-74-8 | (5E)-2-[3-(hydroxymethyl)piperidin-1-yl]-5-[(naphthalen-1-yl)methylidene]-4,5-dihydro-1,3-thiazol-4-one
CAS No: 866149-74-8 Catalog No: AG00IRJS MDL No:MFCD05974969
Product Description
Catalog Number:
AG00IRJS
Chemical Name:
(5E)-2-[3-(hydroxymethyl)piperidin-1-yl]-5-[(naphthalen-1-yl)methylidene]-4,5-dihydro-1,3-thiazol-4-one
CAS Number:
866149-74-8
Molecular Formula:
C20H20N2O2S
Molecular Weight:
352.4500
MDL Number:
MFCD05974969
IUPAC Name:
(5E)-2-[3-(hydroxymethyl)piperidin-1-yl]-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one
InChI:
InChI=1S/C20H20N2O2S/c23-13-14-5-4-10-22(12-14)20-21-19(24)18(25-20)11-16-8-3-7-15-6-1-2-9-17(15)16/h1-3,6-9,11,14,23H,4-5,10,12-13H2/b18-11+
InChI Key:
OAUQMIGBWFRPQG-WOJGMQOQSA-N
SMILES:
OCC1CCCN(C1)C1=NC(=O)/C(=C\c2cccc3c2cccc3)/S1
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
352.125g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.452g/mol
Monoisotopic Mass:
352.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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