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145131-39-1 | Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[2-(1-methyl-1H-indol-3-yl)nonyl]-
CAS No: 145131-39-1 Catalog No: AG001KLB MDL No:
Product Description
Catalog Number:
AG001KLB
Chemical Name:
Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[2-(1-methyl-1H-indol-3-yl)nonyl]-
CAS Number:
145131-39-1
Molecular Formula:
C31H45N3O
Molecular Weight:
475.7085
IUPAC Name:
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)nonyl]urea
InChI:
InChI=1S/C31H45N3O/c1-7-8-9-10-11-15-24(28-21-34(6)29-19-13-12-16-27(28)29)20-32-31(35)33-30-25(22(2)3)17-14-18-26(30)23(4)5/h12-14,16-19,21-24H,7-11,15,20H2,1-6H3,(H2,32,33,35)
InChI Key:
RWYJLSJUTLZODA-UHFFFAOYSA-N
SMILES:
CCCCCCCC(c1cn(c2c1cccc2)C)CNC(=O)Nc1c(cccc1C(C)C)C(C)C
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.356g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
475.721g/mol
Monoisotopic Mass:
475.356g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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