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22963-07-1 | 5(4H)-Thiazolone, 2-phenyl-4-(phenylmethyl)-
CAS No: 22963-07-1 Catalog No: AG002LPU MDL No:
Product Description
Catalog Number:
AG002LPU
Chemical Name:
5(4H)-Thiazolone, 2-phenyl-4-(phenylmethyl)-
CAS Number:
22963-07-1
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
IUPAC Name:
4-benzyl-2-phenyl-4H-1,3-thiazol-5-one
InChI:
InChI=1S/C16H13NOS/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-10,14H,11H2
InChI Key:
DVLLTPNSYDQAED-UHFFFAOYSA-N
SMILES:
O=C1SC(=NC1Cc1ccccc1)c1ccccc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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