200,000+ products from a single source!
sales@angenechem.com
88451-48-3 | Urea, N-butyl-N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)ethyl]-
CAS No: 88451-48-3 Catalog No: AG004INE MDL No:
Product Description
Catalog Number:
AG004INE
Chemical Name:
Urea, N-butyl-N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)ethyl]-
CAS Number:
88451-48-3
Molecular Formula:
C21H27FN2O
Molecular Weight:
342.4503
IUPAC Name:
1-butyl-3-(2,4-dimethylphenyl)-1-[2-(3-fluorophenyl)ethyl]urea
InChI:
InChI=1S/C21H27FN2O/c1-4-5-12-24(13-11-18-7-6-8-19(22)15-18)21(25)23-20-10-9-16(2)14-17(20)3/h6-10,14-15H,4-5,11-13H2,1-3H3,(H,23,25)
InChI Key:
CNCJTPMBATYYCQ-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1ccc(cc1C)C)CCc1cccc(c1)F
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.211g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.458g/mol
Monoisotopic Mass:
342.211g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.