3-piperidin-1-ylsulfonyl-N-[(E)-(4,4,4-trifluoro-3-oxo-1-phenylbutylidene)amino]benzamide

Formula:C22H22N3O4F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-piperidin-1-ylsulfonyl-N-[(E)-(4,4,4-trifluoro-3-oxo-1-phenylbutylidene)amino]benzamide is a drug-like molecule.

MolName	3-piperidin-1-ylsulfonyl-N-[(E)-(4,4,4-trifluoro-3-oxo-1-phenylbutylidene)amino]benzamide
MolecularFormula	C22H22N3O4F3S
Smiles	O=C(C/C(/c1ccccc1)=N\NC(c1cccc(S(N2CCCCC2)(=O)=O)c1)=O)C(F)(F)F
InChI	InChI=1S/C22H22F3N3O4S/c23-22(24,25)20(29)15-19(16-8-3-1-4-9-16)26-27-21(30)17-10-7-11-18(14-17)33(31,32)28-12-5-2-6-13-28/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H,27,30)
InChIK	PWEMWCZLHHNJKV-UHFFFAOYSA-N
TotalMolweight	481.494
Molweight	481.494
MonoisotopicMass	481.128311
CLogP	3.6864
CLogS	-5.108
H Acceptors	7
H Donors	1
TotalSurfaceArea	340.35
Relative PSA	0.23852
PolarSurfaceArea	104.29
Druglikeness	-33.77
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	7
Amides	1
StereoCon

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