N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Formula:C23H16N5OBrClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C23H16N5OBrClFS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Cl)N/N=C\c(cc(cc1)Br)c1F
InChI	InChI=1S/C23H16BrClFN5OS/c24-17-6-11-20(26)16(12-17)13-27-28-21(32)14-33-23-30-29-22(15-4-2-1-3-5-15)31(23)19-9-7-18(25)8-10-19/h1-13H,14H2,(H,28,32)
InChIK	FXJHSQPWUAOXRQ-UHFFFAOYSA-N
TotalMolweight	544.835
Molweight	544.835
MonoisotopicMass	542.993146
CLogP	5.9638
CLogS	-10.3
H Acceptors	6
H Donors	1
TotalSurfaceArea	364.88
Relative PSA	0.22558
PolarSurfaceArea	97.47
Druglikeness	2.3189
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

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