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126006-75-5 | Acetic acid, 2-([1,1'-biphenyl]-4-yloxy)-, 2-[(phenylamino)thioxomethyl]hydrazide
CAS No: 126006-75-5 Catalog No: AG000QQT MDL No:
Product Description
Catalog Number:
AG000QQT
Chemical Name:
Acetic acid, 2-([1,1'-biphenyl]-4-yloxy)-, 2-[(phenylamino)thioxomethyl]hydrazide
CAS Number:
126006-75-5
Molecular Formula:
C21H19N3O2S
Molecular Weight:
377.4595
IUPAC Name:
1-phenyl-3-[[2-(4-phenylphenoxy)acetyl]amino]thiourea
InChI:
InChI=1S/C21H19N3O2S/c25-20(23-24-21(27)22-18-9-5-2-6-10-18)15-26-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14H,15H2,(H,23,25)(H2,22,24,27)
InChI Key:
JDPQNXYZJFEVJX-UHFFFAOYSA-N
SMILES:
O=C(NNC(=S)Nc1ccccc1)COc1ccc(cc1)c1ccccc1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.12g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
377.462g/mol
Monoisotopic Mass:
377.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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