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

Formula:C19H16N8O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-benzylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
MolecularFormula	C19H16N8O2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2ccccc2)=O)c1CSc1ccccc1
InChI	InChI=1S/C19H16N8O2S/c20-17-18(25-29-24-17)27-15(12-30-14-9-5-2-6-10-14)16(22-26-27)19(28)23-21-11-13-7-3-1-4-8-13/h1-11H,12H2,(H2,20,24)(H,23,28)
InChIK	OCUZFEAUFHOPMC-UHFFFAOYSA-N
TotalMolweight	420.456
Molweight	420.456
MonoisotopicMass	420.111692
CLogP	3.7108
CLogS	-3.881
H Acceptors	10
H Donors	2
TotalSurfaceArea	320.21
Relative PSA	0.41732
PolarSurfaceArea	162.41
Druglikeness	2.2679
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	5
StereoCon

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