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145131-52-8 | Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[5-methyl-2-(1-methyl-1H-indol-3-yl)-4-hexen-1-yl]-
CAS No: 145131-52-8 Catalog No: AG001KL9 MDL No:
Product Description
Catalog Number:
AG001KL9
Chemical Name:
Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[5-methyl-2-(1-methyl-1H-indol-3-yl)-4-hexen-1-yl]-
CAS Number:
145131-52-8
Molecular Formula:
C29H39N3O
Molecular Weight:
445.6395
IUPAC Name:
1-[2,6-di(propan-2-yl)phenyl]-3-[5-methyl-2-(1-methylindol-3-yl)hex-4-enyl]urea
InChI:
InChI=1S/C29H39N3O/c1-19(2)15-16-22(26-18-32(7)27-14-9-8-11-25(26)27)17-30-29(33)31-28-23(20(3)4)12-10-13-24(28)21(5)6/h8-15,18,20-22H,16-17H2,1-7H3,(H2,30,31,33)
InChI Key:
ZIXVJZYHUWFENA-UHFFFAOYSA-N
SMILES:
CC(=CCC(c1cn(c2c1cccc2)C)CNC(=O)Nc1c(cccc1C(C)C)C(C)C)C
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.309g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
445.651g/mol
Monoisotopic Mass:
445.309g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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