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

Formula:C25H20N5OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-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)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C25H20N5OBrS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Br)n1-c1ccccc1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C25H20BrN5OS/c26-21-15-13-20(14-16-21)24-29-30-25(31(24)22-11-5-2-6-12-22)33-18-23(32)28-27-17-7-10-19-8-3-1-4-9-19/h1-17H,18H2,(H,28,32)
InChIK	WMOULVFVKZVDDF-UHFFFAOYSA-N
TotalMolweight	518.438
Molweight	518.438
MonoisotopicMass	517.057191
CLogP	5.2753
CLogS	-9.542
H Acceptors	6
H Donors	1
TotalSurfaceArea	369.61
Relative PSA	0.22269
PolarSurfaceArea	97.47
Druglikeness	3.6755
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
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)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

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