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

Formula:C22H16N8O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
MolecularFormula	C22H16N8O2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2-c2ccccc2)=O)c1-c1cccs1
InChI	InChI=1S/C22H16N8O2S/c23-20-21(28-32-27-20)30-19(17-7-4-12-33-17)18(25-29-30)22(31)26-24-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-13H,(H2,23,27)(H,26,31)
InChIK	JSUZRAMAVYJFTH-UHFFFAOYSA-N
TotalMolweight	456.489
Molweight	456.489
MonoisotopicMass	456.111692
CLogP	5.1283
CLogS	-5.213
H Acceptors	10
H Donors	2
TotalSurfaceArea	344.66
Relative PSA	0.39604
PolarSurfaceArea	165.35
Druglikeness	3.506
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Symmetricatoms	4
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide

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