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144742-04-1 | 1,3-Benzenedicarboxamide, 4-methyl-N1,N3-diphenoxy-
CAS No: 144742-04-1 Catalog No: AG001K3T MDL No:
Product Description
Catalog Number:
AG001K3T
Chemical Name:
1,3-Benzenedicarboxamide, 4-methyl-N1,N3-diphenoxy-
CAS Number:
144742-04-1
Molecular Formula:
C21H18N2O4
Molecular Weight:
362.3786
IUPAC Name:
4-methyl-1-N,3-N-diphenoxybenzene-1,3-dicarboxamide
InChI:
InChI=1S/C21H18N2O4/c1-15-12-13-16(20(24)22-26-17-8-4-2-5-9-17)14-19(15)21(25)23-27-18-10-6-3-7-11-18/h2-14H,1H3,(H,22,24)(H,23,25)
InChI Key:
LAGIMKVYKXSZAD-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C(=O)NOc1ccccc1)C)NOc1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.127g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.385g/mol
Monoisotopic Mass:
362.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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