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88450-77-5 | Urea, N-butyl-N'-(3-chlorophenyl)-N'-phenyl-N-(phenylmethyl)-
CAS No: 88450-77-5 Catalog No: AG004GTL MDL No:
Product Description
Catalog Number:
AG004GTL
Chemical Name:
Urea, N-butyl-N'-(3-chlorophenyl)-N'-phenyl-N-(phenylmethyl)-
CAS Number:
88450-77-5
Molecular Formula:
C24H25ClN2O
Molecular Weight:
392.9211
IUPAC Name:
1-benzyl-1-butyl-3-(3-chlorophenyl)-3-phenylurea
InChI:
InChI=1S/C24H25ClN2O/c1-2-3-17-26(19-20-11-6-4-7-12-20)24(28)27(22-14-8-5-9-15-22)23-16-10-13-21(25)18-23/h4-16,18H,2-3,17,19H2,1H3
InChI Key:
JKXLTTZJKQMKLA-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)N(c1cccc(c1)Cl)c1ccccc1)Cc1ccccc1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.166g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.927g/mol
Monoisotopic Mass:
392.166g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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