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

Formula:C25H19N5OBrClS Mutagenic:high Tumorigenic:low Reproductive Effective:none N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C25H19N5OBrClS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Cl)N/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C25H19BrClN5OS/c26-20(15-18-7-3-1-4-8-18)16-28-29-23(33)17-34-25-31-30-24(19-9-5-2-6-10-19)32(25)22-13-11-21(27)12-14-22/h1-16H,17H2,(H,29,33)
InChIK	XLTGJGWKKZHPMW-UHFFFAOYSA-N
TotalMolweight	552.883
Molweight	552.883
MonoisotopicMass	551.018218
CLogP	5.7487
CLogS	-10.277
H Acceptors	6
H Donors	1
TotalSurfaceArea	383.24
Relative PSA	0.21477
PolarSurfaceArea	97.47
Druglikeness	0.33331
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
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 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

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