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Home > Other Heterocycles > 114170-92-2
114170-92-2 | Methanone, 7,15-diazadispiro[5.1.5.3]hexadec-15-yl[4-(octyloxy)phenyl]-
CAS No: 114170-92-2 Catalog No: AG000AQ2 MDL No:
Product Description
Catalog Number:
AG000AQ2
Chemical Name:
Methanone, 7,15-diazadispiro[5.1.5.3]hexadec-15-yl[4-(octyloxy)phenyl]-
CAS Number:
114170-92-2
Molecular Formula:
C29H46N2O2
Molecular Weight:
454.6877
IUPAC Name:
7,15-diazadispiro[5.1.58.36]hexadecan-15-yl-(4-octoxyphenyl)methanone
InChI:
InChI=1S/C29H46N2O2/c1-2-3-4-5-6-13-22-33-26-16-14-25(15-17-26)27(32)31-23-28(18-9-7-10-19-28)30-29(24-31)20-11-8-12-21-29/h14-17,30H,2-13,18-24H2,1H3
InChI Key:
ZAJQCTHBIODJTE-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)C(=O)N1CC2(CCCCC2)NC2(C1)CCCCC2
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.356g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
454.699g/mol
Monoisotopic Mass:
454.356g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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