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89334-56-5 | Thiourea, N-[1-(1H-benzimidazol-2-yl)ethyl]-N'-(4-ethoxyphenyl)-
CAS No: 89334-56-5 Catalog No: AG003YDU MDL No:
Product Description
Catalog Number:
AG003YDU
Chemical Name:
Thiourea, N-[1-(1H-benzimidazol-2-yl)ethyl]-N'-(4-ethoxyphenyl)-
CAS Number:
89334-56-5
Molecular Formula:
C18H20N4OS
Molecular Weight:
340.4426
IUPAC Name:
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxyphenyl)thiourea
InChI:
InChI=1S/C18H20N4OS/c1-3-23-14-10-8-13(9-11-14)20-18(24)19-12(2)17-21-15-6-4-5-7-16(15)22-17/h4-12H,3H2,1-2H3,(H,21,22)(H2,19,20,24)
InChI Key:
SMANHXLTOHOCSU-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=S)NC(c1nc2c([nH]1)cccc2)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
340.445g/mol
Monoisotopic Mass:
340.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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