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145131-55-1 | Urea, N'-(2,6-dimethylphenyl)-N-[[1-(1-methyl-1H-indol-3-yl)cyclopentyl]methyl]-N-(phenylmethyl)-
CAS No: 145131-55-1 Catalog No: AG001KMJ MDL No:
Product Description
Catalog Number:
AG001KMJ
Chemical Name:
Urea, N'-(2,6-dimethylphenyl)-N-[[1-(1-methyl-1H-indol-3-yl)cyclopentyl]methyl]-N-(phenylmethyl)-
CAS Number:
145131-55-1
Molecular Formula:
C31H35N3O
Molecular Weight:
465.6291
IUPAC Name:
1-benzyl-3-(2,6-dimethylphenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
InChI:
InChI=1S/C31H35N3O/c1-23-12-11-13-24(2)29(23)32-30(35)34(20-25-14-5-4-6-15-25)22-31(18-9-10-19-31)27-21-33(3)28-17-8-7-16-26(27)28/h4-8,11-17,21H,9-10,18-20,22H2,1-3H3,(H,32,35)
InChI Key:
KPOISVAFTQDETA-UHFFFAOYSA-N
SMILES:
O=C(N(CC1(CCCC1)c1cn(c2c1cccc2)C)Cc1ccccc1)Nc1c(C)cccc1C
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.278g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.641g/mol
Monoisotopic Mass:
465.278g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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