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

Formula:C20H14N8O2S Mutagenic:none Tumorigenic:high Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-thiophen-2-yltriazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
MolecularFormula	C20H14N8O2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cccc3ccccc23)=O)c1-c1cccs1
InChI	InChI=1S/C20H14N8O2S/c21-18-19(26-30-25-18)28-17(15-9-4-10-31-15)16(23-27-28)20(29)24-22-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11H,(H2,21,25)(H,24,29)
InChIK	ZSHHFUBSAFPJMH-UHFFFAOYSA-N
TotalMolweight	430.451
Molweight	430.451
MonoisotopicMass	430.096042
CLogP	4.6635
CLogS	-4.733
H Acceptors	10
H Donors	2
TotalSurfaceArea	319.5
Relative PSA	0.42723
PolarSurfaceArea	165.35
Druglikeness	3.506
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Aromatic Nitrogens	5
StereoCon

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

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