1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide

Formula:C22H20N8O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
MolecularFormula	C22H20N8O2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C(/CCC2)\c3c2cccc3)=O)c1CSc1ccccc1
InChI	InChI=1S/C22H20N8O2S/c23-20-21(28-32-27-20)30-18(13-33-15-9-2-1-3-10-15)19(25-29-30)22(31)26-24-17-12-6-8-14-7-4-5-11-16(14)17/h1-5,7,9-11H,6,8,12-13H2,(H2,23,27)(H,26,31)
InChIK	PMBFFLBMJZWKQO-UHFFFAOYSA-N
TotalMolweight	460.521
Molweight	460.521
MonoisotopicMass	460.142992
CLogP	4.3835
CLogS	-4.83
H Acceptors	10
H Donors	2
TotalSurfaceArea	346.2
Relative PSA	0.38599
PolarSurfaceArea	162.41
Druglikeness	-1.4337
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide

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