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89334-52-1 | Thiourea, N-[3-(1H-benzimidazol-2-yl)propyl]-N'-(4-ethoxyphenyl)-
CAS No: 89334-52-1 Catalog No: AG0086RY MDL No:
Product Description
Catalog Number:
AG0086RY
Chemical Name:
Thiourea, N-[3-(1H-benzimidazol-2-yl)propyl]-N'-(4-ethoxyphenyl)-
CAS Number:
89334-52-1
Molecular Formula:
C19H22N4OS
Molecular Weight:
354.4692
IUPAC Name:
1-[3-(1H-benzimidazol-2-yl)propyl]-3-(4-ethoxyphenyl)thiourea
InChI:
InChI=1S/C19H22N4OS/c1-2-24-15-11-9-14(10-12-15)21-19(25)20-13-5-8-18-22-16-6-3-4-7-17(16)23-18/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,22,23)(H2,20,21,25)
InChI Key:
YEOCYLUNNCLBCA-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=S)NCCCc1nc2c([nH]1)cccc2
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.151g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
354.472g/mol
Monoisotopic Mass:
354.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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