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145131-25-5 | Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-(1-methyl-1H-indol-3-yl)cyclohexyl]methyl]-
CAS No: 145131-25-5 Catalog No: AG001KLH MDL No:
Product Description
Catalog Number:
AG001KLH
Chemical Name:
Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-(1-methyl-1H-indol-3-yl)cyclohexyl]methyl]-
CAS Number:
145131-25-5
Molecular Formula:
C29H39N3O
Molecular Weight:
445.6395
IUPAC Name:
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-methylindol-3-yl)cyclohexyl]methyl]urea
InChI:
InChI=1S/C29H39N3O/c1-20(2)22-13-11-14-23(21(3)4)27(22)31-28(33)30-19-29(16-9-6-10-17-29)25-18-32(5)26-15-8-7-12-24(25)26/h7-8,11-15,18,20-21H,6,9-10,16-17,19H2,1-5H3,(H2,30,31,33)
InChI Key:
YIZUGMRAJJBEBN-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(cccc1C(C)C)C(C)C)NCC1(CCCCC1)c1cn(c2c1cccc2)C
Properties
Complexity:
625
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:
6
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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