4-benzamido-N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Formula:C28H23N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-benzamido-N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName4-benzamido-N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormulaC28H23N3O4
SmilesO=C(/C(/NC(c(cc1)ccc1NC(c1ccccc1)=O)=O)=C\c1ccccc1)NCc1ccco1
InChIInChI=1S/C28H23N3O4/c32-26(21-10-5-2-6-11-21)30-23-15-13-22(14-16-23)27(33)31-25(18-20-8-3-1-4-9-20)28(34)29-19-24-12-7-17-35-24/h1-18H,19H2,(H,29,34)(H,30,32)(H,31,33)
InChIKUMDQVZIBBDQNRI-UHFFFAOYSA-N
TotalMolweight465.508
Molweight465.508
MonoisotopicMass465.168857
CLogP4.4694
CLogS-5.883
H Acceptors7
H Donors3
TotalSurfaceArea368.33
Relative PSA0.23786
PolarSurfaceArea100.44
Druglikeness3.12
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.54286
Fragments1
Non HAtoms35
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms1
Symmetricatoms6
Amides3
StereoCon

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