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88451-02-9 | Urea, N-(3-aminophenyl)-N'-butyl-N,N'-bis(phenylmethyl)-
CAS No: 88451-02-9 Catalog No: AG004GTG MDL No:
Product Description
Catalog Number:
AG004GTG
Chemical Name:
Urea, N-(3-aminophenyl)-N'-butyl-N,N'-bis(phenylmethyl)-
CAS Number:
88451-02-9
Molecular Formula:
C25H29N3O
Molecular Weight:
387.5173
IUPAC Name:
1-(3-aminophenyl)-1,3-dibenzyl-3-butylurea
InChI:
InChI=1S/C25H29N3O/c1-2-3-17-27(19-21-11-6-4-7-12-21)25(29)28(20-22-13-8-5-9-14-22)24-16-10-15-23(26)18-24/h4-16,18H,2-3,17,19-20,26H2,1H3
InChI Key:
ADKNPRQPIICNRO-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)N(c1cccc(c1)N)Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.231g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.527g/mol
Monoisotopic Mass:
387.231g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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