3-[(4-chlorophenyl)methyl]-4-[(Z)-[(4Z)-4-[[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]imino]butylidene]amino]-1H-1,2,4-triazol-5-one

Formula:C22H20N8O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(4-chlorophenyl)methyl]-4-[(Z)-[(4Z)-4-[[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]imino]butylidene]amino]-1H-1,2,4-triazol-5-one is a drug-like molecule.

MolName	3-[(4-chlorophenyl)methyl]-4-[(Z)-[(4Z)-4-[[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]imino]butylidene]amino]-1H-1,2,4-triazol-5-one
MolecularFormula	C22H20N8O2Cl2
Smiles	O=C(NN=C1Cc(cc2)ccc2Cl)N1/N=C\CC/C=N\N(C(Cc(cc1)ccc1Cl)=NN1)C1=O
InChI	InChI=1S/C22H20Cl2N8O2/c23-17-7-3-15(4-8-17)13-19-27-29-21(33)31(19)25-11-1-2-12-26-32-20(28-30-22(32)34)14-16-5-9-18(24)10-6-16/h3-12H,1-2,13-14H2,(H,29,33)(H,30,34)
InChIK	LYDYHYVCXLUSEP-UHFFFAOYSA-N
TotalMolweight	499.361
Molweight	499.361
MonoisotopicMass	498.108626
CLogP	3.55
CLogS	-7.196
H Acceptors	10
H Donors	2
TotalSurfaceArea	366.38
Relative PSA	0.27878
PolarSurfaceArea	114.12
Druglikeness	3.5936
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	19
StereoCon

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1 - 3-[(4-chlorophenyl)methyl]-4-[(Z)-[(4Z)-4-[[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]imino]butylidene]amino]-1H-1,2,4-triazol-5-one | 2 - 3-[(4-chlorophenyl)methyl]-4-[(Z)-[(4Z)-4-[[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]imino]butylidene]amino]-1H-1,2,4-triazol-5-one

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