1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide

Formula:C21H18N8O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
MolecularFormula	C21H18N8O2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\C=C\c2ccccc2)=O)c1CSc1ccccc1
InChI	InChI=1S/C21H18N8O2S/c22-19-20(27-31-26-19)29-17(14-32-16-11-5-2-6-12-16)18(24-28-29)21(30)25-23-13-7-10-15-8-3-1-4-9-15/h1-13H,14H2,(H2,22,26)(H,25,30)
InChIK	WETAQHHJDWTCNF-UHFFFAOYSA-N
TotalMolweight	446.494
Molweight	446.494
MonoisotopicMass	446.127342
CLogP	3.7291
CLogS	-4.173
H Acceptors	10
H Donors	2
TotalSurfaceArea	346.71
Relative PSA	0.38542
PolarSurfaceArea	162.41
Druglikeness	2.2903
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide

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