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145131-32-4 | Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-(1-phenyl-1H-indol-3-yl)cyclopentyl]methyl]-
CAS No: 145131-32-4 Catalog No: AG001KLC MDL No:
Product Description
Catalog Number:
AG001KLC
Chemical Name:
Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-(1-phenyl-1H-indol-3-yl)cyclopentyl]methyl]-
CAS Number:
145131-32-4
Molecular Formula:
C33H39N3O
Molecular Weight:
493.6823
IUPAC Name:
1-[2,6-di(propan-2-yl)phenyl]-1-[[1-(1-phenylindol-3-yl)cyclopentyl]methyl]urea
InChI:
InChI=1S/C33H39N3O/c1-23(2)26-16-12-17-27(24(3)4)31(26)36(32(34)37)22-33(19-10-11-20-33)29-21-35(25-13-6-5-7-14-25)30-18-9-8-15-28(29)30/h5-9,12-18,21,23-24H,10-11,19-20,22H2,1-4H3,(H2,34,37)
InChI Key:
CORKKUNEXIDLIM-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(cccc1C(C)C)C(C)C)NCC1(CCCC1)c1cn(c2c1cccc2)c1ccccc1
Properties
Complexity:
737
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.309g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
493.695g/mol
Monoisotopic Mass:
493.309g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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