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

Formula:C25H19N5OBr2S Mutagenic:high Tumorigenic:low Reproductive Effective:none 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide is not a drug-like molecule.

MolName	2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C25H19N5OBr2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Br)n1-c1ccccc1)N/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C25H19Br2N5OS/c26-20-13-11-19(12-14-20)24-30-31-25(32(24)22-9-5-2-6-10-22)34-17-23(33)29-28-16-21(27)15-18-7-3-1-4-8-18/h1-16H,17H2,(H,29,33)
InChIK	HNWYORVBNAWWTL-UHFFFAOYSA-N
TotalMolweight	597.334
Molweight	597.334
MonoisotopicMass	594.967702
CLogP	5.8679
CLogS	-10.375
H Acceptors	6
H Donors	1
TotalSurfaceArea	386.45
Relative PSA	0.21299
PolarSurfaceArea	97.47
Druglikeness	0.30204
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58824
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 - 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide

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