2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide

Formula:C23H16N5OBrClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
MolecularFormula	C23H16N5OBrClFS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Br)n1-c1ccccc1)N/N=C\c(c(F)ccc1)c1Cl
InChI	InChI=1S/C23H16BrClFN5OS/c24-16-11-9-15(10-12-16)22-29-30-23(31(22)17-5-2-1-3-6-17)33-14-21(32)28-27-13-18-19(25)7-4-8-20(18)26/h1-13H,14H2,(H,28,32)
InChIK	NRACXSLKYLVJHM-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	0.54545
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 - 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide | 2 - 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide

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