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84484-03-7 | Thiourea,N-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-N'-(3-methylphenyl)-
CAS No: 84484-03-7 Catalog No: AG005504 MDL No:
Product Description
Catalog Number:
AG005504
Chemical Name:
Thiourea,N-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-N'-(3-methylphenyl)-
CAS Number:
84484-03-7
Molecular Formula:
C22H20N4OS
Molecular Weight:
388.4854
IUPAC Name:
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(3-methylphenyl)thiourea
InChI:
InChI=1S/C22H20N4OS/c1-15-5-4-6-17(13-15)24-22(28)23-16-9-11-18(12-10-16)27-14-21-25-19-7-2-3-8-20(19)26-21/h2-13H,14H2,1H3,(H,25,26)(H2,23,24,28)
InChI Key:
DEHAFGHSMBDUIN-UHFFFAOYSA-N
SMILES:
S=C(Nc1cccc(c1)C)Nc1ccc(cc1)OCc1nc2c([nH]1)cccc2
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.136g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
388.489g/mol
Monoisotopic Mass:
388.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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