2-[4-amino-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide

Formula:C18H15N6O2Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-amino-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[4-amino-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
MolecularFormula	C18H15N6O2Cl3
Smiles	NN(C(Cc(cc1)ccc1Cl)=NN1CC(N/N=C\c(ccc(Cl)c2)c2Cl)=O)C1=O
InChI	InChI=1S/C18H15Cl3N6O2/c19-13-4-1-11(2-5-13)7-16-25-26(18(29)27(16)22)10-17(28)24-23-9-12-3-6-14(20)8-15(12)21/h1-6,8-9H,7,10,22H2,(H,24,28)
InChIK	IBBIKKHSZALDQF-UHFFFAOYSA-N
TotalMolweight	453.716
Molweight	453.716
MonoisotopicMass	452.032205
CLogP	2.7617
CLogS	-6.163
H Acceptors	8
H Donors	2
TotalSurfaceArea	317.11
Relative PSA	0.26152
PolarSurfaceArea	103.39
Druglikeness	4.8361
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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1 - 2-[4-amino-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[4-amino-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide

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