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

Formula:C23H17N5OBrFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
MolecularFormula	C23H17N5OBrFS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Br)N/N=C\c(cc1)ccc1F
InChI	InChI=1S/C23H17BrFN5OS/c24-18-8-12-20(13-9-18)30-22(17-4-2-1-3-5-17)28-29-23(30)32-15-21(31)27-26-14-16-6-10-19(25)11-7-16/h1-14H,15H2,(H,27,31)
InChIK	XOOFPNDKMCHHBP-UHFFFAOYSA-N
TotalMolweight	510.39
Molweight	510.39
MonoisotopicMass	509.032119
CLogP	5.3578
CLogS	-9.564
H Acceptors	6
H Donors	1
TotalSurfaceArea	349.46
Relative PSA	0.23553
PolarSurfaceArea	97.47
Druglikeness	2.2955
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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

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