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145131-57-3 | Urea, N'-(2,4-difluorophenyl)-N-[[1-(1-methyl-1H-indol-3-yl)cyclopentyl]methyl]-N-(phenylmethyl)-
CAS No: 145131-57-3 Catalog No: AG001KMH MDL No:
Product Description
Catalog Number:
AG001KMH
Chemical Name:
Urea, N'-(2,4-difluorophenyl)-N-[[1-(1-methyl-1H-indol-3-yl)cyclopentyl]methyl]-N-(phenylmethyl)-
CAS Number:
145131-57-3
Molecular Formula:
C29H29F2N3O
Molecular Weight:
473.5569
IUPAC Name:
1-benzyl-3-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
InChI:
InChI=1S/C29H29F2N3O/c1-33-19-24(23-11-5-6-12-27(23)33)29(15-7-8-16-29)20-34(18-21-9-3-2-4-10-21)28(35)32-26-14-13-22(30)17-25(26)31/h2-6,9-14,17,19H,7-8,15-16,18,20H2,1H3,(H,32,35)
InChI Key:
TVJUGGFUQQODSN-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)NC(=O)N(CC1(CCCC1)c1cn(c2c1cccc2)C)Cc1ccccc1
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.228g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
473.568g/mol
Monoisotopic Mass:
473.228g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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