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88468-01-3 | Urea, N'-(4-chloro-2-methylphenyl)-N-heptyl-N-(2-phenylethyl)-
CAS No: 88468-01-3 Catalog No: AG004C86 MDL No:
Product Description
Catalog Number:
AG004C86
Chemical Name:
Urea, N'-(4-chloro-2-methylphenyl)-N-heptyl-N-(2-phenylethyl)-
CAS Number:
88468-01-3
Molecular Formula:
C23H31ClN2O
Molecular Weight:
386.9580
IUPAC Name:
3-(4-chloro-2-methylphenyl)-1-heptyl-1-(2-phenylethyl)urea
InChI:
InChI=1S/C23H31ClN2O/c1-3-4-5-6-10-16-26(17-15-20-11-8-7-9-12-20)23(27)25-22-14-13-21(24)18-19(22)2/h7-9,11-14,18H,3-6,10,15-17H2,1-2H3,(H,25,27)
InChI Key:
YLFZMCLAZHQPFN-UHFFFAOYSA-N
SMILES:
CCCCCCCN(C(=O)Nc1ccc(cc1C)Cl)CCc1ccccc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.212g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.964g/mol
Monoisotopic Mass:
386.212g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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