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89334-66-7 | Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N'-(4-methoxyphenyl)-
CAS No: 89334-66-7 Catalog No: AG003ZGQ MDL No:
Product Description
Catalog Number:
AG003ZGQ
Chemical Name:
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N'-(4-methoxyphenyl)-
CAS Number:
89334-66-7
Molecular Formula:
C17H18N4OS
Molecular Weight:
326.4160
IUPAC Name:
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)thiourea
InChI:
InChI=1S/C17H18N4OS/c1-22-13-8-6-12(7-9-13)19-17(23)18-11-10-16-20-14-4-2-3-5-15(14)21-16/h2-9H,10-11H2,1H3,(H,20,21)(H2,18,19,23)
InChI Key:
DRAGUPPWGNZXAP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=S)NCCc1nc2c([nH]1)cccc2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.12g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
326.418g/mol
Monoisotopic Mass:
326.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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