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84484-08-2 | Thiourea,N-[4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]phenyl]-N'-(4-methylphenyl)-
CAS No: 84484-08-2 Catalog No: AG004VT2 MDL No:
Product Description
Catalog Number:
AG004VT2
Chemical Name:
Thiourea,N-[4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]phenyl]-N'-(4-methylphenyl)-
CAS Number:
84484-08-2
Molecular Formula:
C22H19ClN4OS
Molecular Weight:
422.9305
IUPAC Name:
1-[4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]phenyl]-3-(4-methylphenyl)thiourea
InChI:
InChI=1S/C22H19ClN4OS/c1-14-2-5-16(6-3-14)24-22(29)25-17-7-9-18(10-8-17)28-13-21-26-19-11-4-15(23)12-20(19)27-21/h2-12H,13H2,1H3,(H,26,27)(H2,24,25,29)
InChI Key:
BBYVWTBKMYPAQA-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)C)Nc1ccc(cc1)OCc1[nH]c2c(n1)ccc(c2)Cl
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.097g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
422.931g/mol
Monoisotopic Mass:
422.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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