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1192944-73-2 | Urea, N-[4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl]phenyl]-N'-(3-methoxyphenyl)-
CAS No: 1192944-73-2 Catalog No: AG000IIZ MDL No:
Product Description
Catalog Number:
AG000IIZ
Chemical Name:
Urea, N-[4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl]phenyl]-N'-(3-methoxyphenyl)-
CAS Number:
1192944-73-2
Molecular Formula:
C29H23F2N5O3
Molecular Weight:
527.5214
IUPAC Name:
1-[4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1,2,4-triazol-1-yl]phenyl]-3-(3-methoxyphenyl)urea
InChI:
InChI=1S/C29H23F2N5O3/c1-38-26-7-3-6-24(17-26)33-28(37)32-23-12-14-25(15-13-23)36-27(20-4-2-5-22(31)16-20)34-29(35-36)39-18-19-8-10-21(30)11-9-19/h2-17H,18H2,1H3,(H2,32,33,37)
InChI Key:
ZIRIGRBVGZQBSS-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC(=O)Nc1ccc(cc1)n1nc(nc1c1cccc(c1)F)OCc1ccc(cc1)F
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.177g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
527.532g/mol
Monoisotopic Mass:
527.177g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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