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Home > Imidazoles > 84484-05-9
84484-05-9 | 3-[4-(1H-BENZOIMIDAZOL-2-YLMETHOXY)PHENYL]-1-(4-ETHOXYPHENYL)THIOUREA
CAS No: 84484-05-9 Catalog No: AG004VT3 MDL No:
Product Description
Catalog Number:
AG004VT3
Chemical Name:
3-[4-(1H-BENZOIMIDAZOL-2-YLMETHOXY)PHENYL]-1-(4-ETHOXYPHENYL)THIOUREA
CAS Number:
84484-05-9
Molecular Formula:
C23H22N4O2S
Molecular Weight:
418.5114
IUPAC Name:
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(4-ethoxyphenyl)thiourea
InChI:
InChI=1S/C23H22N4O2S/c1-2-28-18-11-7-16(8-12-18)24-23(30)25-17-9-13-19(14-10-17)29-15-22-26-20-5-3-4-6-21(20)27-22/h3-14H,2,15H2,1H3,(H,26,27)(H2,24,25,30)
InChI Key:
KWOAHEXWZNESDY-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=S)Nc1ccc(cc1)OCc1nc2c([nH]1)cccc2
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.146g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
418.515g/mol
Monoisotopic Mass:
418.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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