N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-hydroxybenzamide

Formula:C20H20N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-hydroxybenzamide is a drug-like molecule.

MolNameN-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-hydroxybenzamide
MolecularFormulaC20H20N3O5Br
SmilesOc(cc1)ccc1C(N/N=C\c(cc1)cc(Br)c1OCC(N1CCOCC1)=O)=O
InChIInChI=1S/C20H20BrN3O5/c21-17-11-14(12-22-23-20(27)15-2-4-16(25)5-3-15)1-6-18(17)29-13-19(26)24-7-9-28-10-8-24/h1-6,11-12,25H,7-10,13H2,(H,23,27)
InChIKRHFDABXTRMVTHD-UHFFFAOYSA-N
TotalMolweight462.299
Molweight462.299
MonoisotopicMass461.058633
CLogP2.8303
CLogS-3.749
H Acceptors8
H Donors2
TotalSurfaceArea315.32
Relative PSA0.27179
PolarSurfaceArea100.46
Druglikeness4.2303
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.68966
Fragments1
Non HAtoms29
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms4
Amides1
StereoCon

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