4-(benzenesulfonamido)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide

Formula:C23H17N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(benzenesulfonamido)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide is a drug-like molecule.

MolName4-(benzenesulfonamido)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide
MolecularFormulaC23H17N3O5S
SmilesO=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\C1=COc(cccc2)c2C1=O
InChIInChI=1S/C23H17N3O5S/c27-22-17(15-31-21-9-5-4-8-20(21)22)14-24-25-23(28)16-10-12-18(13-11-16)26-32(29,30)19-6-2-1-3-7-19/h1-15,26H,(H,25,28)
InChIKPURPUOLWAFSRSX-UHFFFAOYSA-N
TotalMolweight447.47
Molweight447.47
MonoisotopicMass447.088892
CLogP2.6181
CLogS-5.604
H Acceptors8
H Donors2
TotalSurfaceArea325.75
Relative PSA0.30419
PolarSurfaceArea122.31
Druglikeness0.058163
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.625
Fragments1
Non HAtoms32
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms5
Amides1
StereoCon

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