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86764-82-1 | Urea, N'-(3-bromophenyl)-N,N-bis(phenylmethyl)-
CAS No: 86764-82-1 Catalog No: AG004N7I MDL No:
Product Description
Catalog Number:
AG004N7I
Chemical Name:
Urea, N'-(3-bromophenyl)-N,N-bis(phenylmethyl)-
CAS Number:
86764-82-1
Molecular Formula:
C21H19BrN2O
Molecular Weight:
395.2924
IUPAC Name:
1,1-dibenzyl-3-(3-bromophenyl)urea
InChI:
InChI=1S/C21H19BrN2O/c22-19-12-7-13-20(14-19)23-21(25)24(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,23,25)
InChI Key:
DDACIMUTPFKIGT-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)NC(=O)N(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.068g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.3g/mol
Monoisotopic Mass:
394.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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