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145131-59-5 | Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-(1,2-dimethyl-1H-indol-3-yl)cyclopentyl]methyl]-
CAS No: 145131-59-5 Catalog No: AG001KMF MDL No:
Product Description
Catalog Number:
AG001KMF
Chemical Name:
Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-(1,2-dimethyl-1H-indol-3-yl)cyclopentyl]methyl]-
CAS Number:
145131-59-5
Molecular Formula:
C29H39N3O
Molecular Weight:
445.6395
IUPAC Name:
1-[[1-(1,2-dimethylindol-3-yl)cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
InChI:
InChI=1S/C29H39N3O/c1-19(2)22-13-11-14-23(20(3)4)27(22)31-28(33)30-18-29(16-9-10-17-29)26-21(5)32(6)25-15-8-7-12-24(25)26/h7-8,11-15,19-20H,9-10,16-18H2,1-6H3,(H2,30,31,33)
InChI Key:
RVKCQYKXEDPLOG-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(cccc1C(C)C)C(C)C)NCC1(CCCC1)c1c2ccccc2n(c1C)C
Properties
Complexity:
639
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
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