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84483-97-6 | 3-[4-(1H-BENZOIMIDAZOL-2-YLMETHOXY)PHENYL]-1-(4-CHLOROPHENYL)THIOUREA
CAS No: 84483-97-6 Catalog No: AG004S0Y MDL No:
Product Description
Catalog Number:
AG004S0Y
Chemical Name:
3-[4-(1H-BENZOIMIDAZOL-2-YLMETHOXY)PHENYL]-1-(4-CHLOROPHENYL)THIOUREA
CAS Number:
84483-97-6
Molecular Formula:
C21H17ClN4OS
Molecular Weight:
408.9039
IUPAC Name:
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(4-chlorophenyl)thiourea
InChI:
InChI=1S/C21H17ClN4OS/c22-14-5-7-15(8-6-14)23-21(28)24-16-9-11-17(12-10-16)27-13-20-25-18-3-1-2-4-19(18)26-20/h1-12H,13H2,(H,25,26)(H2,23,24,28)
InChI Key:
XNJJKOZBWNDSIB-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)Cl)Nc1ccc(cc1)OCc1nc2c([nH]1)cccc2
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.081g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
408.904g/mol
Monoisotopic Mass:
408.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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