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145131-23-3 | Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[2-(1-methyl-1H-indol-3-yl)butyl]-
CAS No: 145131-23-3 Catalog No: AG001KLI MDL No:
Product Description
Catalog Number:
AG001KLI
Chemical Name:
Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[2-(1-methyl-1H-indol-3-yl)butyl]-
CAS Number:
145131-23-3
Molecular Formula:
C26H35N3O
Molecular Weight:
405.5756
IUPAC Name:
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)butyl]urea
InChI:
InChI=1S/C26H35N3O/c1-7-19(23-16-29(6)24-14-9-8-11-22(23)24)15-27-26(30)28-25-20(17(2)3)12-10-13-21(25)18(4)5/h8-14,16-19H,7,15H2,1-6H3,(H2,27,28,30)
InChI Key:
AYIQHRJVMJNQAZ-UHFFFAOYSA-N
SMILES:
CCC(c1cn(c2c1cccc2)C)CNC(=O)Nc1c(cccc1C(C)C)C(C)C
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.278g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.586g/mol
Monoisotopic Mass:
405.278g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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