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265981-30-4 | 1,3,5-Benzenetricarboxamide, N1,N3,N5-tris[(3S)-3,7-dimethyloctyl]-
CAS No: 265981-30-4 Catalog No: AG002TTV MDL No:
Product Description
Catalog Number:
AG002TTV
Chemical Name:
1,3,5-Benzenetricarboxamide, N1,N3,N5-tris[(3S)-3,7-dimethyloctyl]-
CAS Number:
265981-30-4
Molecular Formula:
C39H69N3O3
Molecular Weight:
627.9835
IUPAC Name:
1-N,3-N,5-N-tris[(3S)-3,7-dimethyloctyl]benzene-1,3,5-tricarboxamide
InChI:
InChI=1S/C39H69N3O3/c1-28(2)13-10-16-31(7)19-22-40-37(43)34-25-35(38(44)41-23-20-32(8)17-11-14-29(3)4)27-36(26-34)39(45)42-24-21-33(9)18-12-15-30(5)6/h25-33H,10-24H2,1-9H3,(H,40,43)(H,41,44)(H,42,45)/t31-,32-,33-/m0/s1
InChI Key:
NKGQYHSBAPGVHX-ZDCRTTOTSA-N
SMILES:
C[C@@H](CCCC(C)C)CCNC(=O)c1cc(cc(c1)C(=O)NCC[C@H](CCCC(C)C)C)C(=O)NCC[C@H](CCCC(C)C)C
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
627.534g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
627.999g/mol
Monoisotopic Mass:
627.534g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.1
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