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

Formula:C25H22N5O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-ethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-ethoxyphenyl)methylideneamino]acetamide
MolecularFormula	C25H22N5O2BrS
Smiles	CCOc1ccc(C=NNC(CSc2nnc(-c(cc3)ccc3Br)n2-c2ccccc2)=O)cc1
InChI	InChI=1S/C25H22BrN5O2S/c1-2-33-22-14-8-18(9-15-22)16-27-28-23(32)17-34-25-30-29-24(19-10-12-20(26)13-11-19)31(25)21-6-4-3-5-7-21/h3-16H,2,17H2,1H3,(H,28,32)
InChIK	QOKDQBBAMZPJIC-UHFFFAOYSA-N
TotalMolweight	536.453
Molweight	536.453
MonoisotopicMass	535.067756
CLogP	5.5933
CLogS	-9.568
H Acceptors	7
H Donors	1
TotalSurfaceArea	379.13
Relative PSA	0.24348
PolarSurfaceArea	106.7
Druglikeness	2.1027
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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

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