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

Formula:C22H15N9O4 Mutagenic:none Tumorigenic:high Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
MolecularFormula	C22H15N9O4
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cccc3ccccc23)=O)c1-c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C22H15N9O4/c23-20-21(28-35-27-20)30-19(14-8-10-16(11-9-14)31(33)34)18(25-29-30)22(32)26-24-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12H,(H2,23,27)(H,26,32)
InChIK	COLOAKPECSLVFU-UHFFFAOYSA-N
TotalMolweight	469.42
Molweight	469.42
MonoisotopicMass	469.124701
CLogP	3.7184
CLogS	-5.272
H Acceptors	13
H Donors	2
TotalSurfaceArea	347.23
Relative PSA	0.42208
PolarSurfaceArea	182.93
Druglikeness	-3.0921
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments