4-hydroxy-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide

Formula:C21H20N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-hydroxy-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide is a drug-like molecule.

MolName4-hydroxy-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
MolecularFormulaC21H20N4O3S
SmilesOc(cc1)ccc1C(N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1)=O
InChIInChI=1S/C21H20N4O3S/c26-17-8-6-16(7-9-17)20(27)24-22-14-18-19(15-4-2-1-3-5-15)23-21(29-18)25-10-12-28-13-11-25/h1-9,14,26H,10-13H2,(H,24,27)
InChIKAAMLNGFXXMFRGH-UHFFFAOYSA-N
TotalMolweight408.481
Molweight408.481
MonoisotopicMass408.125611
CLogP3.9826
CLogS-5.149
H Acceptors7
H Donors2
TotalSurfaceArea309.64
Relative PSA0.30355
PolarSurfaceArea115.29
Druglikeness6.1576
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.55172
Fragments1
Non HAtoms29
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms6
Symmetricatoms6
Aromatic Nitrogens1
StereoCon

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