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830342-11-5 | 4(5H)-Thiazolone, 5-(2-naphthalenylmethylene)-2-phenyl-
CAS No: 830342-11-5 Catalog No: AG005CPF MDL No:
Product Description
Catalog Number:
AG005CPF
Chemical Name:
4(5H)-Thiazolone, 5-(2-naphthalenylmethylene)-2-phenyl-
CAS Number:
830342-11-5
Molecular Formula:
C20H13NOS
Molecular Weight:
315.3883
IUPAC Name:
5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
InChI:
InChI=1S/C20H13NOS/c22-19-18(23-20(21-19)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-13H
InChI Key:
XASVKZMZIKLRQM-UHFFFAOYSA-N
SMILES:
O=C1N=C(SC1=Cc1ccc2c(c1)cccc2)c1ccccc1
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.072g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.39g/mol
Monoisotopic Mass:
315.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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