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BAS 02814556 N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trim

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摘 要:BAS 02814556 N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide,Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CO3,InChI: InChI=1/C22H21N3O7/c1-29-17-11-14(12-18(30-2)19(17)31-3)20(26)23-15-8-6-,13(7
[Synonyms]
BAS 02814556
[Structure]
BAS 02814556 N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trim

[ Properties Computed from Structure]
Molecular Weight439.41804 [g/mol]
Molecular FormulaC22H21N3O7
XLogP2
H-Bond Donor3
H-Bond Acceptor7
Rotatable Bond Count7
Tautomer Count10
Exact Mass439.13795
MonoIsotopic Mass439.13795
Topological Polar Surface Area128
Heavy Atom Count32
Formal Charge0
Complexity639
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CO3
InChI: InChI=1/C22H21N3O7/c1-29-17-11-14(12-18(30-2)19(17)31-3)20(26)23-15-8-6-
13(7-9-15)21(27)24-25-22(28)16-5-4-10-32-16/h4-12H,1-3H3,(H,23,26)(H,24,
27)(H,25,28)/f/h23-25H

 
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