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145131-26-6 | Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[2-ethyl-2-(1-methyl-1H-indol-3-yl)butyl]-
CAS No: 145131-26-6 Catalog No: AG001KLG MDL No:
Product Description
Catalog Number:
AG001KLG
Chemical Name:
Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[2-ethyl-2-(1-methyl-1H-indol-3-yl)butyl]-
CAS Number:
145131-26-6
Molecular Formula:
C28H39N3O
Molecular Weight:
433.6288
IUPAC Name:
1-[2,6-di(propan-2-yl)phenyl]-3-[2-ethyl-2-(1-methylindol-3-yl)butyl]urea
InChI:
InChI=1S/C28H39N3O/c1-8-28(9-2,24-17-31(7)25-16-11-10-13-23(24)25)18-29-27(32)30-26-21(19(3)4)14-12-15-22(26)20(5)6/h10-17,19-20H,8-9,18H2,1-7H3,(H2,29,30,32)
InChI Key:
CYDKXRLIHVSDLU-UHFFFAOYSA-N
SMILES:
CCC(c1cn(c2c1cccc2)C)(CNC(=O)Nc1c(cccc1C(C)C)C(C)C)CC
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.309g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
433.64g/mol
Monoisotopic Mass:
433.309g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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