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835629-69-1 | Thiourea, N-(5-bromo-2-pyridinyl)-N'-[(2-ethoxy-6-fluorophenyl)methyl]-
CAS No: 835629-69-1 Catalog No: AG004ZAR MDL No:
Product Description
Catalog Number:
AG004ZAR
Chemical Name:
Thiourea, N-(5-bromo-2-pyridinyl)-N'-[(2-ethoxy-6-fluorophenyl)methyl]-
CAS Number:
835629-69-1
Molecular Formula:
C15H15BrFN3OS
Molecular Weight:
384.2665
IUPAC Name:
1-(5-bromopyridin-2-yl)-3-[(2-ethoxy-6-fluorophenyl)methyl]thiourea
InChI:
InChI=1S/C15H15BrFN3OS/c1-2-21-13-5-3-4-12(17)11(13)9-19-15(22)20-14-7-6-10(16)8-18-14/h3-8H,2,9H2,1H3,(H2,18,19,20,22)
InChI Key:
AYQMBQUPZXHEJT-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1CNC(=S)Nc1ccc(cn1)Br)F
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.01g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
384.267g/mol
Monoisotopic Mass:
383.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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