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164227-86-5 | 1-[1-(1-Butyl-1H-indol-2-yl)-2-phenylethyl]-1H-1,2,3-benzotriazole
CAS No: 164227-86-5 Catalog No: AG01EUAO MDL No:
Product Description
Catalog Number:
AG01EUAO
Chemical Name:
1-[1-(1-Butyl-1H-indol-2-yl)-2-phenylethyl]-1H-1,2,3-benzotriazole
CAS Number:
164227-86-5
Molecular Formula:
C26H26N4
Molecular Weight:
394.5114
IUPAC Name:
1-[1-(1-butylindol-2-yl)-2-phenylethyl]benzotriazole
InChI:
InChI=1S/C26H26N4/c1-2-3-17-29-23-15-9-7-13-21(23)19-25(29)26(18-20-11-5-4-6-12-20)30-24-16-10-8-14-22(24)27-28-30/h4-16,19,26H,2-3,17-18H2,1H3
InChI Key:
WCJXVQUGNBIWCT-UHFFFAOYSA-N
SMILES:
CCCCn1c2ccccc2cc1C(n1nnc2c1cccc2)Cc1ccccc1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.216g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.522g/mol
Monoisotopic Mass:
394.216g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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