[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidine-4-carboxylate

Formula:C24H23N2O4F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidine-4-carboxylate is a drug-like molecule.

MolName	[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidine-4-carboxylate
MolecularFormula	C24H23N2O4F3S
Smiles	O=C(COC(C(CC1)CCN1/C=C/C(C(F)(F)F)=O)=O)Nc(cccc1)c1Sc1ccccc1
InChI	InChI=1S/C24H23F3N2O4S/c25-24(26,27)21(30)12-15-29-13-10-17(11-14-29)23(32)33-16-22(31)28-19-8-4-5-9-20(19)34-18-6-2-1-3-7-18/h1-9,12,15,17H,10-11,13-14,16H2,(H,28,31)
InChIK	KNCCSCOGAQHPKI-UHFFFAOYSA-N
TotalMolweight	492.517
Molweight	492.517
MonoisotopicMass	492.133062
CLogP	3.5318
CLogS	-5.042
H Acceptors	6
H Donors	1
TotalSurfaceArea	359.28
Relative PSA	0.22718
PolarSurfaceArea	101.01
Druglikeness	-26.347
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	6
Amides	1
StereoCon

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1 - [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidine-4-carboxylate | 2 - [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidine-4-carboxylate

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