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84484-01-5 | Thiourea,N-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-N'-(4-methoxyphenyl)-
CAS No: 84484-01-5 Catalog No: AG004S0X MDL No:
Product Description
Catalog Number:
AG004S0X
Chemical Name:
Thiourea,N-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-N'-(4-methoxyphenyl)-
CAS Number:
84484-01-5
Molecular Formula:
C22H20N4O2S
Molecular Weight:
404.4848
IUPAC Name:
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(4-methoxyphenyl)thiourea
InChI:
InChI=1S/C22H20N4O2S/c1-27-17-10-6-15(7-11-17)23-22(29)24-16-8-12-18(13-9-16)28-14-21-25-19-4-2-3-5-20(19)26-21/h2-13H,14H2,1H3,(H,25,26)(H2,23,24,29)
InChI Key:
QGWJERVEGWDKRY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(c1ccc(cc1)OCc1nc2c([nH]1)cccc2)C(=S)N
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.131g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
404.488g/mol
Monoisotopic Mass:
404.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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