2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate

Formula:C20H15N8O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate is not a drug-like molecule.

MolName	2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate
MolecularFormula	C20H15N8O4S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cccc2)c2C([O-])=O)=O)c1CSc1ccccc1
InChI	InChI=1S/C20H16N8O4S/c21-17-18(26-32-25-17)28-15(11-33-13-7-2-1-3-8-13)16(23-27-28)19(29)24-22-10-12-6-4-5-9-14(12)20(30)31/h1-10H,11H2,(H2,21,25)(H,24,29)(H,30,31)/p-1
InChIK	FHCRGTKUHCNBAV-UHFFFAOYSA-M
TotalMolweight	463.457
Molweight	463.457
MonoisotopicMass	463.093697
CLogP	1.1199
CLogS	-3.894
H Acceptors	12
H Donors	2
TotalSurfaceArea	345.49
Relative PSA	0.46586
PolarSurfaceArea	202.54
Druglikeness	2.3215
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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1 - 2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate | 2 - 2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate

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