Home Other Building Blocks 1-N,2-N,4-tribenzylazetidine-2,4-dicarboxamide

1-N,2-N,4-tribenzylazetidine-2,4-dicarboxamide

CAS No.:
1786096-77-2
Catalog Number:
AG01BEAG
Molecular Formula:
C26H27N3O2
Molecular Weight:
413.5115
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Product Description
Catalog Number:
AG01BEAG
Chemical Name:
1-N,2-N,4-tribenzylazetidine-2,4-dicarboxamide
CAS Number:
1786096-77-2
Molecular Formula:
C26H27N3O2
Molecular Weight:
413.5115
MDL Number:
MFCD28064037
IUPAC Name:
2-N,4-N,1-tribenzylazetidine-2,4-dicarboxamide
InChI:
InChI=1S/C26H27N3O2/c30-25(27-17-20-10-4-1-5-11-20)23-16-24(29(23)19-22-14-8-3-9-15-22)26(31)28-18-21-12-6-2-7-13-21/h1-15,23-24H,16-19H2,(H,27,30)(H,28,31)
InChI Key:
ZDKQZLBPKVUZJV-UHFFFAOYSA-N
SMILES:
O=C(C1CC(N1Cc1ccccc1)C(=O)NCc1ccccc1)NCc1ccccc1
Properties
Complexity:
537  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.21g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
413.521g/mol
Monoisotopic Mass:
413.21g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties