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

Formula:C25H18N5OBrCl2S Mutagenic:high Tumorigenic:low Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-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-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C25H18N5OBrCl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C25H18BrCl2N5OS/c26-19(14-17-4-2-1-3-5-17)15-29-30-23(34)16-35-25-32-31-24(18-6-8-20(27)9-7-18)33(25)22-12-10-21(28)11-13-22/h1-15H,16H2,(H,30,34)
InChIK	BEAKXPKPALTENU-UHFFFAOYSA-N
TotalMolweight	587.328
Molweight	587.328
MonoisotopicMass	584.979245
CLogP	6.3547
CLogS	-11.013
H Acceptors	6
H Donors	1
TotalSurfaceArea	398.66
Relative PSA	0.20647
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	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
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-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide

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