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113918-60-8 | 1,3-Benzenedicarboxamide, N1,N3-diethyl-N1,N3-diphenyl-
CAS No: 113918-60-8 Catalog No: AG000A2E MDL No:
Product Description
Catalog Number:
AG000A2E
Chemical Name:
1,3-Benzenedicarboxamide, N1,N3-diethyl-N1,N3-diphenyl-
CAS Number:
113918-60-8
Molecular Formula:
C24H24N2O2
Molecular Weight:
372.4596
IUPAC Name:
1-N,3-N-diethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
InChI:
InChI=1S/C24H24N2O2/c1-3-25(21-14-7-5-8-15-21)23(27)19-12-11-13-20(18-19)24(28)26(4-2)22-16-9-6-10-17-22/h5-18H,3-4H2,1-2H3
InChI Key:
XAOUTZSLDUFREL-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cccc(c1)C(=O)N(c1ccccc1)CC)c1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.184g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.468g/mol
Monoisotopic Mass:
372.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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