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127194-07-4 | Urea, N,N''-(methylenedi-4,1-phenylene)bis[N',N'-dipropyl- (9CI)
CAS No: 127194-07-4 Catalog No: AG000WQT MDL No:
Product Description
Catalog Number:
AG000WQT
Chemical Name:
Urea, N,N''-(methylenedi-4,1-phenylene)bis[N',N'-dipropyl- (9CI)
CAS Number:
127194-07-4
Molecular Formula:
C27H40N4O2
Molecular Weight:
452.6321
IUPAC Name:
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
InChI:
InChI=1S/C27H40N4O2/c1-5-17-30(18-6-2)26(32)28-24-13-9-22(10-14-24)21-23-11-15-25(16-12-23)29-27(33)31(19-7-3)20-8-4/h9-16H,5-8,17-21H2,1-4H3,(H,28,32)(H,29,33)
InChI Key:
YFUXBUHMBVFCFE-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)N(CCC)CCC)CCC
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.315g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
452.643g/mol
Monoisotopic Mass:
452.315g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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