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145131-30-2 | Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[2-(1-methyl-1H-indol-3-yl)-2-phenylethyl]-
CAS No: 145131-30-2 Catalog No: AG001KLE MDL No:
Product Description
Catalog Number:
AG001KLE
Chemical Name:
Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[2-(1-methyl-1H-indol-3-yl)-2-phenylethyl]-
CAS Number:
145131-30-2
Molecular Formula:
C30H35N3O
Molecular Weight:
453.6184
IUPAC Name:
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)-2-phenylethyl]urea
InChI:
InChI=1S/C30H35N3O/c1-20(2)23-15-11-16-24(21(3)4)29(23)32-30(34)31-18-26(22-12-7-6-8-13-22)27-19-33(5)28-17-10-9-14-25(27)28/h6-17,19-21,26H,18H2,1-5H3,(H2,31,32,34)
InChI Key:
KNMAZRDMDMZVNX-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(cccc1C(C)C)C(C)C)NCC(c1cn(c2c1cccc2)C)c1ccccc1
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.278g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
453.63g/mol
Monoisotopic Mass:
453.278g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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