1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide

Formula:C25H20N8O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
MolecularFormula	C25H20N8O2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2-c2ccccc2)=O)c1CSc1ccccc1
InChI	InChI=1S/C25H20N8O2S/c26-23-24(31-35-30-23)33-21(16-36-20-9-5-2-6-10-20)22(28-32-33)25(34)29-27-15-17-11-13-19(14-12-17)18-7-3-1-4-8-18/h1-15H,16H2,(H2,26,30)(H,29,34)
InChIK	NUDRKOBUGUHRAF-UHFFFAOYSA-N
TotalMolweight	496.554
Molweight	496.554
MonoisotopicMass	496.142992
CLogP	5.37
CLogS	-5.967
H Acceptors	10
H Donors	2
TotalSurfaceArea	379.97
Relative PSA	0.35169
PolarSurfaceArea	162.41
Druglikeness	2.2679
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	5
StereoCon

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