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

Formula:C23H18N8O2S Mutagenic:none Tumorigenic:high Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
MolecularFormula	C23H18N8O2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cccc3ccccc23)=O)c1CSc1ccccc1
InChI	InChI=1S/C23H18N8O2S/c24-21-22(29-33-28-21)31-19(14-34-17-10-2-1-3-11-17)20(26-30-31)23(32)27-25-13-16-9-6-8-15-7-4-5-12-18(15)16/h1-13H,14H2,(H2,24,28)(H,27,32)
InChIK	PWZYDDSNBADJES-UHFFFAOYSA-N
TotalMolweight	470.516
Molweight	470.516
MonoisotopicMass	470.127342
CLogP	4.9052
CLogS	-5.487
H Acceptors	10
H Donors	2
TotalSurfaceArea	354.81
Relative PSA	0.37662
PolarSurfaceArea	162.41
Druglikeness	2.2679
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

Click to Load Molecule:

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

Request More Details | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments