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88451-22-3 | Urea, N-[(4-bromophenyl)methyl]-N-butyl-N'-(2,4-dimethylphenyl)-
CAS No: 88451-22-3 Catalog No: AG004EHX MDL No:
Product Description
Catalog Number:
AG004EHX
Chemical Name:
Urea, N-[(4-bromophenyl)methyl]-N-butyl-N'-(2,4-dimethylphenyl)-
CAS Number:
88451-22-3
Molecular Formula:
C20H25BrN2O
Molecular Weight:
389.3293
IUPAC Name:
1-[(4-bromophenyl)methyl]-1-butyl-3-(2,4-dimethylphenyl)urea
InChI:
InChI=1S/C20H25BrN2O/c1-4-5-12-23(14-17-7-9-18(21)10-8-17)20(24)22-19-11-6-15(2)13-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)
InChI Key:
VATLQFFSWGMOHD-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1ccc(cc1C)C)Cc1ccc(cc1)Br
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.337g/mol
Monoisotopic Mass:
388.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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