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86764-39-8 | Urea, N'-(4-butoxyphenyl)-N,N-bis(phenylmethyl)-
CAS No: 86764-39-8 Catalog No: AG004N7T MDL No:
Product Description
Catalog Number:
AG004N7T
Chemical Name:
Urea, N'-(4-butoxyphenyl)-N,N-bis(phenylmethyl)-
CAS Number:
86764-39-8
Molecular Formula:
C25H28N2O2
Molecular Weight:
388.5020
IUPAC Name:
1,1-dibenzyl-3-(4-butoxyphenyl)urea
InChI:
InChI=1S/C25H28N2O2/c1-2-3-18-29-24-16-14-23(15-17-24)26-25(28)27(19-21-10-6-4-7-11-21)20-22-12-8-5-9-13-22/h4-17H,2-3,18-20H2,1H3,(H,26,28)
InChI Key:
KXUIQZOAXMVOMH-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)NC(=O)N(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.215g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.511g/mol
Monoisotopic Mass:
388.215g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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