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

Formula:C23H18N5O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
MolecularFormula	C23H18N5O2BrS
Smiles	Oc1cccc(/C=N\NC(CSc2nnc(-c3ccccc3)n2-c(cc2)ccc2Br)=O)c1
InChI	InChI=1S/C23H18BrN5O2S/c24-18-9-11-19(12-10-18)29-22(17-6-2-1-3-7-17)27-28-23(29)32-15-21(31)26-25-14-16-5-4-8-20(30)13-16/h1-14,30H,15H2,(H,26,31)
InChIK	CPMKMSIZPFMRMN-UHFFFAOYSA-N
TotalMolweight	508.399
Molweight	508.399
MonoisotopicMass	507.036456
CLogP	4.9113
CLogS	-8.954
H Acceptors	7
H Donors	2
TotalSurfaceArea	349.46
Relative PSA	0.27302
PolarSurfaceArea	117.7
Druglikeness	3.6158
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53125
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	3
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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