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145131-54-0 | Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-[1-(3-pyridinylmethyl)-1H-indol-3-yl]cyclopentyl]methyl]-
CAS No: 145131-54-0 Catalog No: AG001KMK MDL No:
Product Description
Catalog Number:
AG001KMK
Chemical Name:
Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[[1-[1-(3-pyridinylmethyl)-1H-indol-3-yl]cyclopentyl]methyl]-
CAS Number:
145131-54-0
Molecular Formula:
C33H40N4O
Molecular Weight:
508.6969
IUPAC Name:
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-[1-(pyridin-3-ylmethyl)indol-3-yl]cyclopentyl]methyl]urea
InChI:
InChI=1S/C33H40N4O/c1-23(2)26-13-9-14-27(24(3)4)31(26)36-32(38)35-22-33(16-7-8-17-33)29-21-37(20-25-11-10-18-34-19-25)30-15-6-5-12-28(29)30/h5-6,9-15,18-19,21,23-24H,7-8,16-17,20,22H2,1-4H3,(H2,35,36,38)
InChI Key:
VWEPDBWXFIWIQR-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(cccc1C(C)C)C(C)C)NCC1(CCCC1)c1cn(c2c1cccc2)Cc1cccnc1
Properties
Complexity:
746
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.32g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
508.71g/mol
Monoisotopic Mass:
508.32g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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