(E)-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-2-phenylethenesulfonamide

Formula:C31H26N5O4FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-2-phenylethenesulfonamide is not a drug-like molecule.

MolName	(E)-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-2-phenylethenesulfonamide
MolecularFormula	C31H26N5O4FS2
Smiles	[O-][N+](c(cc1)ccc1-n1c(SCc(cc2)ccc2F)nnc1C(Cc1ccccc1)NS(/C=C/c1ccccc1)(=O)=O)=O
InChI	InChI=1S/C31H26FN5O4S2/c32-26-13-11-25(12-14-26)22-42-31-34-33-30(36(31)27-15-17-28(18-16-27)37(38)39)29(21-24-9-5-2-6-10-24)35-43(40,41)20-19-23-7-3-1-4-8-23/h1-20,29,35H,21-22H2/t29-/m0/s1
InChIK	TVHMXYQHHRSLSM-LJAQVGFWSA-N
TotalMolweight	615.708
Molweight	615.708
MonoisotopicMass	615.141023
CLogP	4.9621
CLogS	-9.623
H Acceptors	9
H Donors	1
TotalSurfaceArea	453.09
Relative PSA	0.2577
PolarSurfaceArea	156.38
Druglikeness	-8.6492
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44186
Fragments	1
Non HAtoms	43
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	11
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	6
Symmetricatoms	9
Amides	1
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon	racemate

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1 - (E)-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-2-phenylethenesulfonamide | 2 - (E)-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-2-phenylethenesulfonamide

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