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13102-40-4 | 1,1,3,3-Propanetetracarboxamide, N1,N3,N'1,N'3-tetrakis(phenylmethyl)-
CAS No: 13102-40-4 Catalog No: AG000VCO MDL No:
Product Description
Catalog Number:
AG000VCO
Chemical Name:
1,1,3,3-Propanetetracarboxamide, N1,N3,N'1,N'3-tetrakis(phenylmethyl)-
CAS Number:
13102-40-4
Molecular Formula:
C35H36N4O4
Molecular Weight:
576.6847
IUPAC Name:
1-N,1-N,3-N,3-N-tetrabenzylpropane-1,1,3,3-tetracarboxamide
InChI:
InChI=1S/C35H36N4O4/c40-32(36-22-26-13-5-1-6-14-26)30(33(41)37-23-27-15-7-2-8-16-27)21-31(34(42)38-24-28-17-9-3-10-18-28)35(43)39-25-29-19-11-4-12-20-29/h1-20,30-31H,21-25H2,(H,36,40)(H,37,41)(H,38,42)(H,39,43)
InChI Key:
YLFLULJIRDJDSC-UHFFFAOYSA-N
SMILES:
O=C(C(C(=O)NCc1ccccc1)CC(C(=O)NCc1ccccc1)C(=O)NCc1ccccc1)NCc1ccccc1
Properties
Complexity:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
576.274g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
576.697g/mol
Monoisotopic Mass:
576.274g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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