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145131-40-4 | Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[4,4-dimethyl-2-(1-methyl-1H-indol-3-yl)pentyl]-
CAS No: 145131-40-4 Catalog No: AG001KLA MDL No:
Product Description
Catalog Number:
AG001KLA
Chemical Name:
Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[4,4-dimethyl-2-(1-methyl-1H-indol-3-yl)pentyl]-
CAS Number:
145131-40-4
Molecular Formula:
C29H41N3O
Molecular Weight:
447.6553
IUPAC Name:
1-[4,4-dimethyl-2-(1-methylindol-3-yl)pentyl]-3-[2,6-di(propan-2-yl)phenyl]urea
InChI:
InChI=1S/C29H41N3O/c1-19(2)22-13-11-14-23(20(3)4)27(22)31-28(33)30-17-21(16-29(5,6)7)25-18-32(8)26-15-10-9-12-24(25)26/h9-15,18-21H,16-17H2,1-8H3,(H2,30,31,33)
InChI Key:
DSWRKCFPVLIQET-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(cccc1C(C)C)C(C)C)NCC(c1cn(c2c1cccc2)C)CC(C)(C)C
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.325g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
447.667g/mol
Monoisotopic Mass:
447.325g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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