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145131-60-8 | Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-(1-methyl-2-phenyl-1H-indol-3-yl)cyclopentyl]methyl]-
CAS No: 145131-60-8 Catalog No: AG001KME MDL No:
Product Description
Catalog Number:
AG001KME
Chemical Name:
Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-(1-methyl-2-phenyl-1H-indol-3-yl)cyclopentyl]methyl]-
CAS Number:
145131-60-8
Molecular Formula:
C34H41N3O
Molecular Weight:
507.7088
IUPAC Name:
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-methyl-2-phenylindol-3-yl)cyclopentyl]methyl]urea
InChI:
InChI=1S/C34H41N3O/c1-23(2)26-17-13-18-27(24(3)4)31(26)36-33(38)35-22-34(20-11-12-21-34)30-28-16-9-10-19-29(28)37(5)32(30)25-14-7-6-8-15-25/h6-10,13-19,23-24H,11-12,20-22H2,1-5H3,(H2,35,36,38)
InChI Key:
RFTJJOFLQLBRSX-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(cccc1C(C)C)C(C)C)NCC1(CCCC1)c1c2ccccc2n(c1c1ccccc1)C
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.325g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
507.722g/mol
Monoisotopic Mass:
507.325g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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