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89334-64-5 | Thiourea, N-[1-(1H-benzimidazol-2-yl)ethyl]-N'-(4-methoxyphenyl)-
CAS No: 89334-64-5 Catalog No: AG0086RT MDL No:
Product Description
Catalog Number:
AG0086RT
Chemical Name:
Thiourea, N-[1-(1H-benzimidazol-2-yl)ethyl]-N'-(4-methoxyphenyl)-
CAS Number:
89334-64-5
Molecular Formula:
C17H18N4OS
Molecular Weight:
326.4160
IUPAC Name:
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)thiourea
InChI:
InChI=1S/C17H18N4OS/c1-11(16-20-14-5-3-4-6-15(14)21-16)18-17(23)19-12-7-9-13(22-2)10-8-12/h3-11H,1-2H3,(H,20,21)(H2,18,19,23)
InChI Key:
KGMITXMGYPQVCT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=S)NC(c1nc2c([nH]1)cccc2)C
Properties
Complexity:
400
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:
4
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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