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

Formula:C19H14N8O2F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,5-difluorophenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,5-difluorophenyl)methylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
MolecularFormula	C19H14N8O2F2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc(cc2)F)c2F)=O)c1CSc1ccccc1
InChI	InChI=1S/C19H14F2N8O2S/c20-12-6-7-14(21)11(8-12)9-23-25-19(30)16-15(10-32-13-4-2-1-3-5-13)29(28-24-16)18-17(22)26-31-27-18/h1-9H,10H2,(H2,22,26)(H,25,30)
InChIK	CXJNLHIJNVHDCI-UHFFFAOYSA-N
TotalMolweight	456.436
Molweight	456.436
MonoisotopicMass	456.092848
CLogP	3.9124
CLogS	-4.509
H Acceptors	10
H Donors	2
TotalSurfaceArea	332.91
Relative PSA	0.4014
PolarSurfaceArea	162.41
Druglikeness	0.92787
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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

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